Vitas-M small molecule compound

ethyl 2-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STK854726
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=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 C25H21ClN2O5S MW 496.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5S/c1-4-33-24(32)22-14(3)27-25(34-22)28-19(15-7-5-13(2)6-8-15)18(21(30)23(28)31)20(29)16-9-11-17(26)12-10-16/h5-12,19,29H,4H2,1-3H3/b20-18+
InChIKey
YEURDFVFWIWDNF-CZIZESTLSA-N
Synonyms
385390-53-4
385390534
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=C(C=C4)C)C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C)C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O
ethyl2((3E)3((4chlorophenyl)(hydroxy)methylidene)2(4methylphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(4METHYLPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(4((4CHLOROPHENYL)CARBONYL)3HYDROXY5(4METHYLPHENYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC25H21ClN2O5Sc143324(32)2214(3)2725(3422)2819(157513(2)6815)18(21(30)23(28)31)20(29)1691117(26)121016h5121929H4H213H3b2018+
MFCD08731522
ZINC000102803829
ZINC000102803832

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.