Vitas-M small molecule compound
ethyl 2-[(3E)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK541698
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccccc1OC
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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 C27H26N2O7S MW 522.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O7S/c1-6-36-26(33)24-15(3)28-27(37-24)29-21(17-9-7-8-10-19(17)35-5)20(23(31)25(29)32)22(30)16-11-12-18(34-4)14(2)13-16/h7-13,21,30H,6H2,1-5H3/b22-20+InChIKey
YNUVROXAYGCPFF-LSDHQDQOSA-NSynonyms
487038-04-0487038040
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC(=C(C=C3)OC)C)O)C(=O)C2=O)C4=CC=CC=C4OC)C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC)O)C1c1ccccc1OC
ethyl2((3E)3(hydroxy(4methoxy3methylphenyl)methylidene)2(2methoxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC27H26N2O7Sc163626(33)2415(3)2827(3724)2921(179781019(17)355)20(23(31)25(29)32)22(30)16111218(344)14(2)1316h7132130H6H215H3b2220+
MFCD09796885
ZINC000102430822
ZINC000102430830
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