Vitas-M small molecule compound
3-({[(4-methoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
Catalog ID
STK037528
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(ccc1C)C(=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 C17H15N3O6S MW 389.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O6S/c1-9-3-4-11(16(22)23)7-12(9)18-17(27)19-15(21)10-5-6-14(26-2)13(8-10)20(24)25/h3-8H,1-2H3,(H,22,23)(H2,18,19,21,27)InChIKey
NJMQORSMCZXZIA-UHFFFAOYSA-NSynonyms
433696-78-73((((4METHOXY3NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)4METHYL
3((((4METHOXY3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4METHYLBENZOICACID
3(((4METHOXY3NITROBENZOYL)CARBAMOTHIOYL)AMINO)4METHYLBENZOICACID
3((4METHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)4METHYLBENZOICACID
3(3(4methoxy3nitrobenzoyl)thioureido)4methylbenzoicacid
433696787
CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(ccc1C)C(=O)O
InChI=1SC17H15N3O6Sc193411(16(22)23)712(9)1817(27)1915(21)105614(262)13(810)20(24)25h38H12H3(H2223)(H218192127)
MFCD03245582
STK037528
ZINC000002221452
ZINC2221452
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