Vitas-M small molecule compound
ethyl 2-{(3E)-2-(2-ethoxyphenyl)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL036783
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OC)/O)/C1c1ccccc1OCC
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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 C28H28N2O7S MW 536.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7S/c1-6-36-20-11-9-8-10-19(20)22-21(23(31)18-13-12-17(35-5)14-15(18)3)24(32)26(33)30(22)28-29-16(4)25(38-28)27(34)37-7-2/h8-14,22,31H,6-7H2,1-5H3/b23-21+InChIKey
WCMXSCADGLYEJJ-XTQSDGFTSA-NSynonyms
497868323
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2C)OC)O)C1c1ccccc1OCC
CCOC1=CC=CC=C1C2C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC)C
ethyl2((3E)2(2ethoxyphenyl)3(hydroxy(4methoxy2methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC28H28N2O7Sc16362011981019(20)2221(23(31)18131217(355)1415(18)3)24(32)26(33)30(22)282916(4)25(3828)27(34)3772h8142231H67H215H3b2321+
MFCD03808240
ZINC000102856819
ZINC000102856823
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