Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Catalog ID
STL039278
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1CCOC
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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 C29H35NO7 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO7/c1-5-7-13-36-23-11-8-19(17-24(23)35-6-2)26-25(28(32)29(33)30(26)12-14-34-4)27(31)20-9-10-22-21(16-20)15-18(3)37-22/h8-11,16-18,26,31H,5-7,12-15H2,1-4H3/b27-25+InChIKey
LEWWNUKQKOGKFQ-IMVLJIQESA-NSynonyms
845663-95-8(4E)5(4butoxy3ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(2methoxyethyl)pyrrolidine23dione
845663958
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCOC)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1CCOC
InChI=1SC29H35NO7c15713362311819(1724(23)3562)2625(28(32)29(33)30(26)1214344)27(31)209102221(1620)1518(3)3722h81116182631H571215H214H3b2725+
MFCD04079566
ZINC000102863956
ZINC000102863968
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