Organoheterocyclic compounds
Organoheterocyclic compounds
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D-(+)-Biotin, 98+%, Thermo Scientific Chemicals
CAS: 58-85-5 Formula molecolare: C10H16N2O3S Molecular Weight (g/mol): 244.31 Numero MDL: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Sinonimo: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12
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Sinonimo | biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin |
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Numero MDL | MFCD00005541 |
PubChem CID | 171548 |
Formula molecolare | C10H16N2O3S |
CAS | 58-85-5 |
Molecular Weight (g/mol) | 244.31 |
ChEBI | CHEBI:15956 |
SMILES | OC(=O)CCCCC1SCC2NC(=O)NC12 |
IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid |
InChI Key | YBJHBAHKTGYVGT-UHFFFAOYNA-N |
Phthalic Anhydride, 99%, Thermo Scientific Chemicals
CAS: 85-44-9 Formula molecolare: C8H4O3 Molecular Weight (g/mol): 148.12 Numero MDL: MFCD00005918 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N Sinonimo: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 SMILES: O=C1OC(=O)C2=CC=CC=C12
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Sinonimo | phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen |
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Numero MDL | MFCD00005918 |
PubChem CID | 6811 |
Formula molecolare | C8H4O3 |
CAS | 85-44-9 |
Molecular Weight (g/mol) | 148.12 |
ChEBI | CHEBI:36605 |
SMILES | O=C1OC(=O)C2=CC=CC=C12 |
InChI Key | LGRFSURHDFAFJT-UHFFFAOYSA-N |
N-Acryloxysuccinimide, 99%, Thermo Scientific Chemicals
CAS: 38862-24-7 Formula molecolare: C7H7NO4 Molecular Weight (g/mol): 169.14 Numero MDL: MFCD00078261 InChI Key: YXMISKNUHHOXFT-UHFFFAOYSA-N Sinonimo: 2,5-dioxopyrrolidin-1-yl acrylate,n-acryloxysuccinimide,n-succinimidyl acrylate,acrylic acid n-hydroxysuccinimide ester,1-acryloyloxy-2,5-pyrrolidinedione,n-acryloyloxysuccinimide,2,5-pyrrolidinedione, 1-1-oxo-2-propenyl oxy,2,5-dioxopyrrolidin-1-yl prop-2-enoate,poly n-acryloxysuccinimide PubChem CID: 181508 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) prop-2-enoate SMILES: C=CC(=O)ON1C(=O)CCC1=O
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Sinonimo | 2,5-dioxopyrrolidin-1-yl acrylate,n-acryloxysuccinimide,n-succinimidyl acrylate,acrylic acid n-hydroxysuccinimide ester,1-acryloyloxy-2,5-pyrrolidinedione,n-acryloyloxysuccinimide,2,5-pyrrolidinedione, 1-1-oxo-2-propenyl oxy,2,5-dioxopyrrolidin-1-yl prop-2-enoate,poly n-acryloxysuccinimide |
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Numero MDL | MFCD00078261 |
PubChem CID | 181508 |
Formula molecolare | C7H7NO4 |
CAS | 38862-24-7 |
Molecular Weight (g/mol) | 169.14 |
SMILES | C=CC(=O)ON1C(=O)CCC1=O |
IUPAC Name | (2,5-dioxopyrrolidin-1-yl) prop-2-enoate |
InChI Key | YXMISKNUHHOXFT-UHFFFAOYSA-N |
Nicotinic acid, 99.5%, Thermo Scientific Chemicals
CAS: 59-67-6 Formula molecolare: C6H5NO2 Molecular Weight (g/mol): 123.11 Numero MDL: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N Sinonimo: nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil PubChem CID: 938 ChEBI: CHEBI:15940 IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1
Sinonimo | nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil |
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Numero MDL | MFCD00006391 |
PubChem CID | 938 |
Formula molecolare | C6H5NO2 |
CAS | 59-67-6 |
Molecular Weight (g/mol) | 123.11 |
ChEBI | CHEBI:15940 |
SMILES | OC(=O)C1=CC=CN=C1 |
IUPAC Name | pyridine-3-carboxylic acid |
InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
Mitomycin C, Fisher BioReagents™
CAS: 50-07-7 Formula molecolare: C15H18N4O5 Molecular Weight (g/mol): 334.332 InChI Key: NWIBSHFKIJFRCO-WUDYKRTCSA-N Sinonimo: mitomycin c,mitomycin,ametycine,mutamycin,ametycin,mitocin-c,mitomycinum,mytomycin,mytozytrex,mitomycin-c PubChem CID: 5746 ChEBI: CHEBI:27504 SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N
Sinonimo | mitomycin c,mitomycin,ametycine,mutamycin,ametycin,mitocin-c,mitomycinum,mytomycin,mytozytrex,mitomycin-c |
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PubChem CID | 5746 |
Formula molecolare | C15H18N4O5 |
CAS | 50-07-7 |
Molecular Weight (g/mol) | 334.332 |
ChEBI | CHEBI:27504 |
SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N |
InChI Key | NWIBSHFKIJFRCO-WUDYKRTCSA-N |
Vitamin B12, 98+% (dry wt basis), Thermo Scientific Chemicals
CAS: 68-19-9 Formula molecolare: C63H89CoN14O14P Molecular Weight (g/mol): 1356.396 Numero MDL: MFCD00151092 InChI Key: AGVAZMGAQJOSFJ-WZHZPDAFSA-M Sinonimo: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]
Sinonimo | vitamin b12 |
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Numero MDL | MFCD00151092 |
PubChem CID | 129893524 |
Formula molecolare | C63H89CoN14O14P |
CAS | 68-19-9 |
Molecular Weight (g/mol) | 1356.396 |
SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2] |
IUPAC Name | cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- |
InChI Key | AGVAZMGAQJOSFJ-WZHZPDAFSA-M |
Imidazole, 99%, Thermo Scientific Chemicals
CAS: 288-32-4 Formula molecolare: C3H4N2 Molecular Weight (g/mol): 68.08 Numero MDL: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Sinonimo: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1
Sinonimo | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
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Numero MDL | MFCD00005183 |
PubChem CID | 795 |
Formula molecolare | C3H4N2 |
CAS | 288-32-4 |
Molecular Weight (g/mol) | 68.08 |
ChEBI | CHEBI:16069 |
SMILES | N1C=CN=C1 |
IUPAC Name | 1H-imidazole |
InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
N-Hydroxysuccinimide, 98+%, Thermo Scientific Chemicals
CAS: 6066-82-6 Formula molecolare: C4H5NO3 Molecular Weight (g/mol): 115.088 Numero MDL: MFCD00005516 InChI Key: NQTADLQHYWFPDB-UHFFFAOYSA-N Sinonimo: n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 PubChem CID: 80170 IUPAC Name: 1-hydroxypyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)O
Sinonimo | n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 |
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Numero MDL | MFCD00005516 |
PubChem CID | 80170 |
Formula molecolare | C4H5NO3 |
CAS | 6066-82-6 |
Molecular Weight (g/mol) | 115.088 |
SMILES | C1CC(=O)N(C1=O)O |
IUPAC Name | 1-hydroxypyrrolidine-2,5-dione |
InChI Key | NQTADLQHYWFPDB-UHFFFAOYSA-N |
Caffeine, 99%, Thermo Scientific Chemicals
CAS: 58-08-2 Formula molecolare: C8H10N4O2 Molecular Weight (g/mol): 194.19 Numero MDL: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Sinonimo: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Sinonimo | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
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Numero MDL | MFCD00005758 |
PubChem CID | 2519 |
Formula molecolare | C8H10N4O2 |
CAS | 58-08-2 |
Molecular Weight (g/mol) | 194.19 |
ChEBI | CHEBI:27732 |
SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%
CAS: 67-03-8 Formula molecolare: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 Numero MDL: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Sinonimo: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-ammino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanolo;cloruro;cloridrato SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Sinonimo | thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride |
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Numero MDL | MFCD00012780 |
PubChem CID | 6202 |
Formula molecolare | C12H17ClN4OS·HCl |
CAS | 67-03-8 |
Molecular Weight (g/mol) | 337.26 |
ChEBI | CHEBI:49105 |
SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
IUPAC Name | 2-[3-[(4-ammino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanolo;cloruro;cloridrato |
InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
Pyrrole, 99%, extra pure, Thermo Scientific Chemicals
CAS: 109-97-7 Formula molecolare: C4H5N Molecular Weight (g/mol): 67.09 Numero MDL: MFCD00005216 InChI Key: KAESVJOAVNADME-UHFFFAOYSA-N Sinonimo: pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c PubChem CID: 8027 ChEBI: CHEBI:19203 IUPAC Name: 1H-pirrolo SMILES: N1C=CC=C1
Sinonimo | pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c |
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Numero MDL | MFCD00005216 |
PubChem CID | 8027 |
Formula molecolare | C4H5N |
CAS | 109-97-7 |
Molecular Weight (g/mol) | 67.09 |
ChEBI | CHEBI:19203 |
SMILES | N1C=CC=C1 |
IUPAC Name | 1H-pirrolo |
InChI Key | KAESVJOAVNADME-UHFFFAOYSA-N |
1,3-Dimethyl-2-imidazolidinone, 98%, Thermo Scientific Chemicals
CAS: 80-73-9 Formula molecolare: C5H10N2O Molecular Weight (g/mol): 114.15 Numero MDL: MFCD00003188 InChI Key: CYSGHNMQYZDMIA-UHFFFAOYSA-N Sinonimo: 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea PubChem CID: 6661 IUPAC Name: 1,3-dimethylimidazolidin-2-one SMILES: CN1CCN(C)C1=O
Sinonimo | 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea |
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Numero MDL | MFCD00003188 |
PubChem CID | 6661 |
Formula molecolare | C5H10N2O |
CAS | 80-73-9 |
Molecular Weight (g/mol) | 114.15 |
SMILES | CN1CCN(C)C1=O |
IUPAC Name | 1,3-dimethylimidazolidin-2-one |
InChI Key | CYSGHNMQYZDMIA-UHFFFAOYSA-N |
Imidazole, 99+%, crystalline, Thermo Scientific Chemicals
CAS: 288-32-4 Formula molecolare: C3H4N2 Molecular Weight (g/mol): 68.08 Numero MDL: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Sinonimo: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1
Sinonimo | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
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Numero MDL | MFCD00005183 |
PubChem CID | 795 |
Formula molecolare | C3H4N2 |
CAS | 288-32-4 |
Molecular Weight (g/mol) | 68.08 |
ChEBI | CHEBI:16069 |
SMILES | N1C=CN=C1 |
IUPAC Name | 1H-imidazole |
InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
Epichlorohydrin, 99%, Thermo Scientific Chemicals
CAS: 106-89-8 Formula molecolare: C3H5ClO Molecular Weight (g/mol): 92.52 InChI Key: BRLQWZUYTZBJKN-UHFFFAOYSA-N Sinonimo: epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide PubChem CID: 7835 ChEBI: CHEBI:37144 IUPAC Name: 2-(chloromethyl)oxirane SMILES: C1C(O1)CCl
Sinonimo | epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide |
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PubChem CID | 7835 |
Formula molecolare | C3H5ClO |
CAS | 106-89-8 |
Molecular Weight (g/mol) | 92.52 |
ChEBI | CHEBI:37144 |
SMILES | C1C(O1)CCl |
IUPAC Name | 2-(chloromethyl)oxirane |
InChI Key | BRLQWZUYTZBJKN-UHFFFAOYSA-N |