Vitas-M small molecule compound

ethyl 2-[(3E)-3-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STL148237
SMILES CCOc1cc(ccc1O)C1N(c2nc(c(s2)C(=O)OCC)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCc1ccccc1)/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/c1-5-42-26-17-22(12-15-25(26)37)28-27(30(39)32(40)36(28)34-35-20(4)31(45-34)33(41)43-6-2)29(38)24-14-13-23(16-19(24)3)44-18-21-10-8-7-9-11-21/h7-17,28,37-38H,5-6,18H2,1-4H3/b29-27+
InChIKey
NUQQCOUHJBDLPL-ORIPQNMZSA-N
Synonyms

CCOC1=C(C=CC(=C1)C2C(=C(C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C)O
CCOc1cc(ccc1O)C1N(c2nc(c(s2)C(=O)OCC)C)C(=O)C(=O)C1=C(c1ccc(cc1C)OCc1ccccc1)O
ETHYL2((3E)2(3ETHOXY4HYDROXYPHENYL)3(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((3E)3((4(benzyloxy)2methylphenyl)(hydroxy)methylidene)2(3ethoxy4hydroxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC34H32N2O8Sc1542261722(121525(26)37)2827(30(39)32(40)36(28)343520(4)31(4534)33(41)4362)29(38)24141323(1619(24)3)441821108791121h717283738H5618H214H3b2927+
MFCD04077243
ZINC000102926825
ZINC000102926826

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Available files

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