Vitas-M small molecule compound
ethyl (2E)-4-oxo-4-{[(2,4,5-trichlorophenyl)carbamothioyl]amino}but-2-enoate
Catalog ID
STL062504
SMILES CCOC(=O)/C=C/C(=O)NC(=S)Nc1cc(Cl)c(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 C13H11Cl3N2O3S MW 381.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11Cl3N2O3S/c1-2-21-12(20)4-3-11(19)18-13(22)17-10-6-8(15)7(14)5-9(10)16/h3-6H,2H2,1H3,(H2,17,18,19,22)/b4-3+InChIKey
OMBWSMONDRJTNB-ONEGZZNKSA-NSynonyms
CCOC(=O)C=CC(=O)NC(=S)NC1=CC(=C(C=C1Cl)Cl)Cl
CCOC(=O)C=CC(=O)NC(=S)Nc1cc(Cl)c(cc1Cl)Cl
ethyl(2E)4oxo4(((245trichlorophenyl)carbamothioyl)amino)but2enoate
ETHYL(E)4OXO4((245TRICHLOROPHENYL)CARBAMOTHIOYLAMINO)BUT2ENOATE
InChI=1SC13H11Cl3N2O3Sc122112(20)4311(19)1813(22)171068(15)7(14)59(10)16h36H2H21H3(H217181922)b43+
MFCD03586952
ZINC000002551756
ZINC02551756
ZINC2551756
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