Vitas-M small molecule compound
2-({[(5-bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-5-chlorobenzoic acid
Catalog ID
STK102274
SMILES COc1ccc(cc1C(=O)NC(=S)Nc1ccc(cc1C(=O)O)Cl)Br
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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 C16H12BrClN2O4S MW 443.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrClN2O4S/c1-24-13-5-2-8(17)6-11(13)14(21)20-16(25)19-12-4-3-9(18)7-10(12)15(22)23/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)InChIKey
JKNFLIHXIBJZHL-UHFFFAOYSA-NSynonyms
531543-04-12((((5BROMO2METHOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)5CHLOROBENZOICACID
2((5BROMO2METHOXYBENZOYL)CARBAMOTHIOYLAMINO)5CHLOROBENZOICACID
531543041
BENZOICACID2((((5BROMO2METHOXYBENZOYL)AMINO)THIOXOMETHYL)AMINO)5CHLORO
COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O
InChI=1SC16H12BrClN2O4Sc12413528(17)611(13)14(21)2016(25)1912439(18)710(12)15(22)23h27H1H3(H2223)(H219202125)
MFCD03567313
ZINC000013941019
ZINC13941019
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