Vitas-M small molecule compound
3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)-2-methylbenzoic acid
Catalog ID
STK110642
SMILES O=C(NC(=S)Nc1cccc(c1C)C(=O)O)/C=C/c1ccc(cc1Cl)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 C18H14Cl2N2O3S MW 409.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2N2O3S/c1-10-13(17(24)25)3-2-4-15(10)21-18(26)22-16(23)8-6-11-5-7-12(19)9-14(11)20/h2-9H,1H3,(H,24,25)(H2,21,22,23,26)/b8-6+InChIKey
CZTNXFXNUQRYMW-SOFGYWHQSA-NSynonyms
530147-84-33((((2E)3(24DICHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)2METHYLBENZOICACID
3(((E)3(24DICHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)2METHYLBENZOICACID
530147843
CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI=1SC18H14Cl2N2O3Sc11013(17(24)25)32415(10)2118(26)2216(23)86115712(19)914(11)20h29H1H3(H2425)(H221222326)b86+
MFCD03564791
O=C(NC(=S)Nc1cccc(c1C)C(=O)O)C=Cc1ccc(cc1Cl)Cl
ZINC000004675190
ZINC4675190
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