Vitas-M small molecule compound
2-methyl-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK110740
SMILES S=C(Nc1cccc(c1C)C(=O)O)NC(=O)c1ccccc1C
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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 C17H16N2O3S MW 328.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O3S/c1-10-6-3-4-7-12(10)15(20)19-17(23)18-14-9-5-8-13(11(14)2)16(21)22/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,23)InChIKey
NPBBQPGVXKDSJM-UHFFFAOYSA-NSynonyms
2METHYL3((((2METHYLPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2METHYL3((2METHYLBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
BENZOICACID2METHYL3((((2METHYLBENZOYL)AMINO)THIOXOMETHYL)AMINO)
CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O
InChI=1SC17H16N2O3Sc110634712(10)15(20)1917(23)181495813(11(14)2)16(21)22h39H12H3(H2122)(H218192023)
MFCD03572106
ZINC000000312324
ZINC312324
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