Vitas-M small molecule compound
ethyl 2-{(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK568569
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(=O)OC)/C(=C(/c2ccc3c(c2)CC(O3)C)\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 C29H26N2O8S MW 562.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O8S/c1-5-38-28(36)25-15(3)30-29(40-25)31-22(16-6-8-17(9-7-16)27(35)37-4)21(24(33)26(31)34)23(32)18-10-11-20-19(13-18)12-14(2)39-20/h6-11,13-14,22,32H,5,12H2,1-4H3/b23-21+InChIKey
UTXWMTCEEJOFEC-XTQSDGFTSA-NSynonyms
893697-14-8893697148
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C2=O)C5=CC=C(C=C5)C(=O)OC)C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(=O)OC)C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C1=O
ethyl2((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((3E)3(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC29H26N2O8Sc153828(36)2515(3)3029(4025)3122(166817(9716)27(35)374)21(24(33)26(31)34)23(32)1810112019(1318)1214(2)3920h61113142232H512H214H3b2321+
MFCD05735513
ZINC000102552908
ZINC000102652993
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.