Vitas-M small molecule compound
methyl 3-({[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK292852
SMILES COC(=O)c1cccc(c1)NC(=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 C17H14N4O5S MW 386.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O5S/c1-26-16(23)10-3-2-4-11(7-10)18-15(22)9-27-17-19-13-6-5-12(21(24)25)8-14(13)20-17/h2-8H,9H2,1H3,(H,18,22)(H,19,20)InChIKey
UAMPTCOLVAJEDX-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)(N+)(=O)(O)
COC(=O)c1cccc(c1)NC(=O)CSc1nc2c((nH)1)cc(cc2)(N+)(=O)(O)
InChI=1SC17H14N4O5Sc12616(23)1032411(710)1815(22)9271719136512(21(24)25)814(13)2017h28H9H21H3(H1822)(H1920)
METHYL3((((6NITRO1HBENZIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL3((2((6NITRO1HBENZIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06006078
ZINC000002876353
ZINC02876353
ZINC2876353
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