Vitas-M small molecule compound
2-chloro-5-({[(4-methoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK101609
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl
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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 C16H12ClN3O6S MW 409.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O6S/c1-26-13-5-2-8(6-12(13)20(24)25)14(21)19-16(27)18-9-3-4-11(17)10(7-9)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,27)InChIKey
VZEYIYFLMSZHLO-UHFFFAOYSA-NSynonyms
433950-61-92CHLORO5((((4METHOXY3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2CHLORO5((4METHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
433950619
BENZOICACID2CHLORO5((((4METHOXY3NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl
InChI=1SC16H12ClN3O6Sc12613528(612(13)20(24)25)14(21)1916(27)1893411(17)10(79)15(22)23h27H1H3(H2223)(H218192127)
MFCD03567815
ZINC000003003497
ZINC3003497
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