Vitas-M small molecule compound
methyl 2-{(3E)-2-(4-tert-butylphenyl)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK846909
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)C(C)(C)C
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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 C27H25ClN2O5S MW 525.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O5S/c1-14-23(25(34)35-5)36-26(29-14)30-20(15-6-10-17(11-7-15)27(2,3)4)19(22(32)24(30)33)21(31)16-8-12-18(28)13-9-16/h6-13,20,31H,1-5H3/b21-19+InChIKey
DMIPASDLBXREJG-XUTLUUPISA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=C(C=C4)C(C)(C)C)C(=O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2)Cl)O)C1c1ccc(cc1)C(C)(C)C
InChI=1SC27H25ClN2O5Sc11423(25(34)355)3626(2914)3020(1561017(11715)27(23)4)19(22(32)24(30)33)21(31)1681218(28)13916h6132031H15H3b2119+
methyl2((3E)2(4tertbutylphenyl)3((4chlorophenyl)(hydroxy)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((3E)2(4TERTBUTYLPHENYL)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD03811616
ZINC000102799692
ZINC000102799695
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