Vitas-M small molecule compound
ethyl 2-({[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL504941
SMILES CCOC(=O)c1ccccc1NC(=O)CSc1nc2c([nH]1)cc(cc2)[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 C18H16N4O5S MW 400.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O5S/c1-2-27-17(24)12-5-3-4-6-13(12)19-16(23)10-28-18-20-14-8-7-11(22(25)26)9-15(14)21-18/h3-9H,2,10H2,1H3,(H,19,23)(H,20,21)InChIKey
IJJHAONOXFWGOB-UHFFFAOYSA-NSynonyms
2973365
ethyl2((((6nitro1Hbenzimidazol2yl)sulfanyl)acetyl)amino)benzoate
ethyl2((2((6nitro1~(H)benzimidazol2yl)sulfanyl)acetyl)amino)benzoate
ETHYL2((2((6NITRO1HBENZIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC18H16N4O5Sc122717(24)12534613(12)1916(23)10281820148711(22(25)26)915(14)2118h39H210H21H3(H1923)(H2021)
MFCD06626086
ZINC000002875974
ZINC2875974
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