Vitas-M small molecule compound
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-(4-butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK584254
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
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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 C31H32N2O8S MW 592.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O8S/c1-5-7-12-39-21-10-8-19(15-23(21)38-6-2)26-25(27(35)20-9-11-22-24(16-20)41-14-13-40-22)28(36)30(37)33(26)31-32-17(3)29(42-31)18(4)34/h8-11,15-16,26,35H,5-7,12-14H2,1-4H3/b27-25+InChIKey
GUXQUNIZHZYFBE-IMVLJIQESA-NSynonyms
620573-01-5(4E)1(5acetyl4methyl13thiazol2yl)5(4butoxy3ethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
620573015
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)C)C)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
InChI=1SC31H32N2O8Sc15712392110819(1523(21)3862)2625(27(35)209112224(1620)4114134022)28(36)30(37)33(26)313217(3)29(4231)18(4)34h81115162635H571214H214H3b2725+
MFCD07207743
ZINC000102596671
ZINC000102596678
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