Vitas-M small molecule compound
4-chloro-3-({[(5-chloro-2-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK104246
SMILES COc1ccc(cc1C(=O)NC(=S)Nc1cc(ccc1Cl)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 C16H12Cl2N2O4S MW 399.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl2N2O4S/c1-24-13-5-3-9(17)7-10(13)14(21)20-16(25)19-12-6-8(15(22)23)2-4-11(12)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)InChIKey
KBZDKXXTCQFHLT-UHFFFAOYSA-NSynonyms
532948-28-04CHLORO3((((5CHLORO2METHOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4CHLORO3((5CHLORO2METHOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
532948280
BENZOICACID4CHLORO3((((5CHLORO2METHOXYBENZOYL)AMINO)THIOXOMETHYL)AMINO)
COC1=C(C=C(C=C1)Cl)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl
InChI=1SC16H12Cl2N2O4Sc12413539(17)710(13)14(21)2016(25)191268(15(22)23)2411(12)18h27H1H3(H2223)(H219202125)
MFCD03573852
ZINC000004679812
ZINC4679812
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