Vitas-M small molecule compound

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

Catalog ID
STK847016
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(cc1)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 C26H24N2O6S MW 492.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O6S/c1-13-6-8-16(9-7-13)20-19(21(29)17-10-11-18(33-4)14(2)12-17)22(30)24(31)28(20)26-27-15(3)23(35-26)25(32)34-5/h6-12,20,29H,1-5H3/b21-19+
InChIKey
REBIGKZPLQUIFP-XUTLUUPISA-N
Synonyms
433325-73-6
433325736
CC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)C)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC)O)C1c1ccc(cc1)C
InChI=1SC26H24N2O6Sc1136816(9713)2019(21(29)17101118(334)14(2)1217)22(30)24(31)28(20)262715(3)23(3526)25(32)345h6122029H15H3b2119+
methyl2((3E)3(hydroxy(4methoxy3methylphenyl)methylidene)2(4methylphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(3HYDROXY4((4METHOXY3METHYLPHENYL)CARBONYL)5(4METHYLPHENYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
METHYL2(3HYDROXY4(4METHOXY3METHYLBENZOYL)5(4METHYLPHENYL)2OXO25DIHYDRO1HPYRROL1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD03803797
ZINC000102799889
ZINC000102799892

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Available files

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