Vitas-M small molecule compound

ethyl 2-{(3E)-2-[4-(benzyloxy)-3-ethoxyphenyl]-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STL053160
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccc(c(c1)OCC)OCc1ccccc1

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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 C36H34N2O8S MW 654.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34N2O8S/c1-5-43-28-18-23(12-15-27(28)45-19-22-10-8-7-9-11-22)30-29(31(39)24-13-14-26-25(17-24)16-20(3)46-26)32(40)34(41)38(30)36-37-21(4)33(47-36)35(42)44-6-2/h7-15,17-18,20,30,39H,5-6,16,19H2,1-4H3/b31-29+
InChIKey
CIXDOCCDZHMTLZ-OWWNRXNESA-N
Synonyms
893697-17-1
893697171
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccc(c(c1)OCC)OCc1ccccc1
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C)OCC6=CC=CC=C6
ETHYL2((3E)2(3ETHOXY4PHENYLMETHOXYPHENYL)3(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((3E)2(4(benzyloxy)3ethoxyphenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC36H34N2O8Sc1543281823(121527(28)451922108791122)3029(31(39)2413142625(1724)1620(3)4626)32(40)34(41)38(30)363721(4)33(4736)35(42)4462h7151718203039H561619H214H3b3129+
MFCD05728596
ZINC000150445219
ZINC000150445233

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Available files

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