Vitas-M small molecule compound
ethyl 2-[(3E)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK565099
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2C)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(18-9-7-8-10-19(18)35-5)20(23(31)25(29)32)22(30)17-12-11-16(34-4)13-14(17)2/h7-13,21,30H,6H2,1-5H3/b22-20+InChIKey
DJHZQUHNFXQNFB-LSDHQDQOSA-NSynonyms
488087-08-7488087087
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=C(C=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(cc2C)OC)O)C1c1ccccc1OC
ethyl2((3E)3(hydroxy(4methoxy2methylphenyl)methylidene)2(2methoxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC27H26N2O7Sc163626(33)2415(3)2827(3724)2921(189781019(18)355)20(23(31)25(29)32)22(30)17121116(344)1314(17)2h7132130H6H215H3b2220+
MFCD03802095
ZINC000102532651
ZINC000102532656
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