Vitas-M small molecule compound
methyl 2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-2-(4-ethylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL052221
SMILES COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)CC)/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 C33H30N2O6S MW 582.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O6S/c1-5-21-11-13-23(14-12-21)27-26(29(37)31(38)35(27)33-34-20(3)30(42-33)32(39)40-4)28(36)24-15-16-25(19(2)17-24)41-18-22-9-7-6-8-10-22/h6-17,27,36H,5,18H2,1-4H3/b28-26+InChIKey
IJBNXKVFNQTNGO-BYCLXTJYSA-NSynonyms
488859-18-3488859183
CCC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OC)C
COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)CC)C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C(=O)C1=O
InChI=1SC33H30N2O6Sc1521111323(141221)2726(29(37)31(38)35(27)333420(3)30(4233)32(39)404)28(36)24151625(19(2)1724)41182297681022h6172736H518H214H3b2826+
METHYL2((3E)2(4ETHYLPHENYL)3(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
methyl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)2(4ethylphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05728429
ZINC000102889679
ZINC000102889681
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.