Vitas-M small molecule compound
methyl 2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK569109
SMILES COC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)OC)O)/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\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 C32H28N2O8S MW 600.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O8S/c1-17-14-21(11-13-23(17)42-16-19-8-6-5-7-9-19)27(36)25-26(20-10-12-22(35)24(15-20)40-3)34(30(38)28(25)37)32-33-18(2)29(43-32)31(39)41-4/h5-15,26,35-36H,16H2,1-4H3/b27-25+InChIKey
VLOMKZGINBDUQG-IMVLJIQESA-NSynonyms
488134-99-2488134992
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC(=C(C=C4)O)OC)O)OCC5=CC=CC=C5
COC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)OC)O)C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C(=O)C1=O
InChI=1SC32H28N2O8Sc1171421(111323(17)4216198657919)27(36)2526(20101222(35)24(1520)403)34(30(38)28(25)37)323318(2)29(4332)31(39)414h515263536H16H214H3b2725+
METHYL2((3E)2(4HYDROXY3METHOXYPHENYL)3(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
methyl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05737833
ZINC000102653551
ZINC000102653554
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.