Vitas-M small molecule compound
3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)-4-methylbenzoic acid
Catalog ID
STK108269
SMILES S=C(Nc1cc(ccc1C)C(=O)O)NC(=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/c1-10-2-3-12(17(24)25)8-15(10)21-18(26)22-16(23)7-5-11-4-6-13(19)9-14(11)20/h2-9H,1H3,(H,24,25)(H2,21,22,23,26)/b7-5+InChIKey
RBFMVBNMUSLIBE-FNORWQNLSA-NSynonyms
471274-17-6(E)3(3(3(24dichlorophenyl)acryloyl)thioureido)4methylbenzoicacid
3((((2E)3(24DICHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)4METHYLBENZOICACID
3(((E)3(24DICHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)4METHYLBENZOICACID
471274176
CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl
InChI=1SC18H14Cl2N2O3Sc1102312(17(24)25)815(10)2118(26)2216(23)75114613(19)914(11)20h29H1H3(H2425)(H221222326)b75+
MFCD03243071
S=C(Nc1cc(ccc1C)C(=O)O)NC(=O)C=Cc1ccc(cc1Cl)Cl
ZINC000001156526
ZINC1156526
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