Vitas-M small molecule compound
ethyl 2-{(3E)-2-(3-ethoxy-4-hydroxyphenyl)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL053469
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(c(c1)OCC)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 C28H28N2O8S MW 552.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O8S/c1-6-37-20-13-16(8-10-18(20)31)22-21(23(32)17-9-11-19(36-5)14(3)12-17)24(33)26(34)30(22)28-29-15(4)25(39-28)27(35)38-7-2/h8-13,22,31-32H,6-7H2,1-5H3/b23-21+InChIKey
HNZOETKTHIWVPN-XTQSDGFTSA-NSynonyms
497940-58-6497940586
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC)O)C1c1ccc(c(c1)OCC)O
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC(=C(C=C3)OC)C)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC)C)O
ethyl2((3E)2(3ethoxy4hydroxyphenyl)3(hydroxy(4methoxy3methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC28H28N2O8Sc1637201316(81018(20)31)2221(23(32)1791119(365)14(3)1217)24(33)26(34)30(22)282915(4)25(3928)27(35)3872h813223132H67H215H3b2321+
MFCD05726889
ZINC000102890840
ZINC000102890842
Check stock
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