Vitas-M small molecule compound
methyl 2-{(3E)-2-(2,4-dichlorophenyl)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL148772
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(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 C25H20Cl2N2O6S MW 547.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N2O6S/c1-11-9-13(5-8-17(11)34-3)20(30)18-19(15-7-6-14(26)10-16(15)27)29(23(32)21(18)31)25-28-12(2)22(36-25)24(33)35-4/h5-10,19,30H,1-4H3/b20-18+InChIKey
AKCWMBFAULDYHG-CZIZESTLSA-NSynonyms
489425-01-6489425016
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=C(C=C(C=C4)Cl)Cl)O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC)O)C1c1ccc(cc1Cl)Cl
InChI=1SC25H20Cl2N2O6Sc111913(5817(11)343)20(30)1819(157614(26)1016(15)27)29(23(32)21(18)31)252812(2)22(3625)24(33)354h5101930H14H3b2018+
methyl2((3E)2(24dichlorophenyl)3(hydroxy(4methoxy3methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD03796816
ZINC000102927968
ZINC000102927970
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