Vitas-M small molecule compound
3-({[(5-bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
Catalog ID
STK101386
SMILES S=C(Nc1cc(ccc1C)C(=O)O)NC(=O)c1cc(Br)ccc1Cl
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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 C16H12BrClN2O3S MW 427.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrClN2O3S/c1-8-2-3-9(15(22)23)6-13(8)19-16(24)20-14(21)11-7-10(17)4-5-12(11)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)InChIKey
NDNBXXNYYHQNNJ-UHFFFAOYSA-NSynonyms
3((((5BROMO2CHLOROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4METHYLBENZOICACID
3(((5BROMO2CHLOROBENZOYL)CARBAMOTHIOYL)AMINO)4METHYLBENZOICACID
3((5BROMO2CHLOROBENZOYL)CARBAMOTHIOYLAMINO)4METHYLBENZOICACID
CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl
InChI=1SC16H12BrClN2O3Sc18239(15(22)23)613(8)1916(24)2014(21)11710(17)4512(11)18h27H1H3(H2223)(H219202124)
MFCD03243556
ZINC000001158607
ZINC1158607
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