Vitas-M small molecule compound
ethyl 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
STL055018
SMILES CCOC(=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 C34H32N2O8S MW 628.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O8S/c1-6-43-33(40)31-20(3)35-34(45-31)36-28(22-12-15-25(41-4)26(17-22)42-5)27(30(38)32(36)39)29(37)23-13-14-24(19(2)16-23)44-18-21-10-8-7-9-11-21/h7-17,28,37H,6,18H2,1-5H3/b29-27+InChIKey
FRWVAIHORZLONI-ORIPQNMZSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C2=O)C5=CC(=C(C=C5)OC)OC)C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)OC)OC)C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C(=O)C1=O
ETHYL2((3E)2(34DIMETHOXYPHENYL)3(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)2(34dimethoxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC34H32N2O8Sc164333(40)3120(3)3534(4531)3628(22121525(414)26(1722)425)27(30(38)32(36)39)29(37)23131424(19(2)1623)441821108791121h7172837H618H215H3b2927+
MFCD05732360
ZINC000102893600
ZINC000102893602
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.