Vitas-M small molecule compound
ethyl 3-(4-methylphenyl)-3-({[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)propanoate
Catalog ID
STL510418
SMILES CCOC(=O)CC(c1ccc(cc1)C)NC(=O)CSc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H22N4O5S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S/c1-3-30-20(27)11-17(14-6-4-13(2)5-7-14)22-19(26)12-31-21-23-16-9-8-15(25(28)29)10-18(16)24-21/h4-10,17H,3,11-12H2,1-2H3,(H,22,26)(H,23,24)InChIKey
WWALEIUJVHYBOH-UHFFFAOYSA-NSynonyms
134717186
ethyl3(4methylphenyl)3((((5nitro1Hbenzimidazol2yl)sulfanyl)acetyl)amino)propanoate
ethyl3(4methylphenyl)3((2((6nitro1~(H)benzimidazol2yl)sulfanyl)acetyl)amino)propanoate
InChI=1SC21H22N4O5Sc133020(27)1117(146413(2)5714)2219(26)12312123169815(25(28)29)1018(16)2421h41017H31112H212H3(H2226)(H2324)
MFCD31711495
ZINC001772491230
ZINC001772491231
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