Vitas-M small molecule compound
2-chloro-5-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK017206
SMILES S=C(NC(=O)c1ccc(c(c1)C)C)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 C17H15ClN2O3S MW 362.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN2O3S/c1-9-3-4-11(7-10(9)2)15(21)20-17(24)19-12-5-6-14(18)13(8-12)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,24)InChIKey
POWARLXBFYOWHY-UHFFFAOYSA-NSynonyms
435285-90-82CHLORO5((((34DIMETHYLPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2CHLORO5((34DIMETHYLBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
435285908
BENZOICACID2CHLORO5((((34DIMETHYLBENZOYL)AMINO)THIOXOMETHYL)AMINO)
CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)C
InChI=1SC17H15ClN2O3Sc193411(710(9)2)15(21)2017(24)19125614(18)13(812)16(22)23h38H12H3(H2223)(H219202124)
MFCD03571077
S=C(NC(=O)c1ccc(c(c1)C)C)Nc1ccc(c(c1)C(=O)O)Cl
STK017206
ZINC000001160267
ZINC1160267
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