Vitas-M small molecule compound
4-methoxy-3-nitro-N-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamothioyl]benzamide
Catalog ID
STK099972
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc2c(c1)[nH]c(=O)[nH]2
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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 C16H13N5O5S MW 387.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O5S/c1-26-13-5-2-8(6-12(13)21(24)25)14(22)20-16(27)17-9-3-4-10-11(7-9)19-15(23)18-10/h2-7H,1H3,(H2,18,19,23)(H2,17,20,22,27)InChIKey
GQKZEKXPBFKQNE-UHFFFAOYSA-NSynonyms
590393-70-7(4METHOXY3NITROPHENYL)N(((2OXO(3HYDROBENZIMIDAZOL5YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
4METHOXY3NITRON((2OXO13DIHYDROBENZIMIDAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
4METHOXY3NITRON((2OXO23DIHYDRO1HBENZIMIDAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
4methoxy3nitroN((2oxo23dihydro1Hbenzo(d)imidazol5yl)carbamothioyl)benzamide
590393707
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc2c(c1)(nH)c(=O)(nH)2
InChI=1SC16H13N5O5Sc12613528(612(13)21(24)25)14(22)2016(27)179341011(79)1915(23)1810h27H1H3(H2181923)(H217202227)
MFCD02810856
STK099972
ZINC000002240543
ZINC02240543
ZINC2240543
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