Vitas-M small molecule compound
3-({[(3,5-dichloro-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK108824
SMILES COc1c(Cl)cc(cc1Cl)C(=O)NC(=S)Nc1cccc(c1)C(=O)O
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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/c1-24-13-11(17)6-9(7-12(13)18)14(21)20-16(25)19-10-4-2-3-8(5-10)15(22)23/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)InChIKey
XEWSBHZJXJWSDX-UHFFFAOYSA-NSynonyms
3((((35DICHLORO4METHOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
3((35DICHLORO4METHOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)Cl
InChI=1SC16H12Cl2N2O4Sc1241311(17)69(712(13)18)14(21)2016(25)19104238(510)15(22)23h27H1H3(H2223)(H219202125)
MFCD03244481
ZINC000004675077
ZINC4675077
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