Vitas-M small molecule compound
methyl 2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK570220
SMILES COC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)OC)OC)/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 C33H30N2O8S MW 614.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O8S/c1-18-15-22(12-13-23(18)43-17-20-9-7-6-8-10-20)28(36)26-27(21-11-14-24(40-3)25(16-21)41-4)35(31(38)29(26)37)33-34-19(2)30(44-33)32(39)42-5/h6-16,27,36H,17H2,1-5H3/b28-26+InChIKey
ZVQJCOXIKWSBPM-BYCLXTJYSA-NSynonyms
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)OC)OC)O)OCC5=CC=CC=C5
COC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)OC)OC)C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C(=O)C1=O
InChI=1SC33H30N2O8Sc1181522(121323(18)43172097681020)28(36)2627(21111424(403)25(1621)414)35(31(38)29(26)37)333419(2)30(4433)32(39)425h6162736H17H215H3b2826+
METHYL2((3E)2(34DIMETHOXYPHENYL)3(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
methyl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)2(34dimethoxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05735871
ZINC000102655702
ZINC000102655704
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.