Vitas-M small molecule compound
4-methyl-3-({[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STK236344
SMILES O=C(Nc1cc(ccc1C)C(=O)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 C17H14N4O5S MW 386.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O5S/c1-9-2-3-10(16(23)24)6-13(9)18-15(22)8-27-17-19-12-5-4-11(21(25)26)7-14(12)20-17/h2-7H,8H2,1H3,(H,18,22)(H,19,20)(H,23,24)InChIKey
LVSBKELUBAFURC-UHFFFAOYSA-NSynonyms
892672-61-64METHYL3((((5NITRO1HBENZIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4methyl3((2((6nitro1Hbenzimidazol2yl)sulfanyl)acetyl)amino)benzoicacid
4METHYL3(2(5NITROBENZIMIDAZOL2YLTHIO)ACETYLAMINO)BENZOICACID
892672616
CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)(N+)(=O)(O)
InChI=1SC17H14N4O5Sc192310(16(23)24)613(9)1815(22)8271719125411(21(25)26)714(12)2017h27H8H21H3(H1822)(H1920)(H2324)
MFCD02018565
O=C(Nc1cc(ccc1C)C(=O)O)CSc1nc2c((nH)1)ccc(c2)(N+)(=O)(O)
ZINC000009190190
ZINC9190190
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