Vitas-M small molecule compound
(E)-{2-(4-ethoxy-3-methoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL056654
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C29H31N3O6 MW 517.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O6/c1-4-37-23-9-6-19(16-24(23)36-3)26-25(27(33)20-7-8-22-21(15-20)14-18(2)38-22)28(34)29(35)32(26)12-5-11-31-13-10-30-17-31/h6-10,13,15-18,26,33H,4-5,11-12,14H2,1-3H3/b27-25+InChIKey
CGULVCMRMYFMFS-IMVLJIQESA-NSynonyms
877802-21-6(4E)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4ethoxy3methoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
877802216
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN5C=CN=C5)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC29H31N3O6c1437239619(1624(23)363)2625(27(33)20782221(1520)1418(2)3822)28(34)29(35)32(26)12511311310301731h6101315182633H45111214H213H3b2725+
MFCD18249755
ZINC000102896646
ZINC000102896653
Check stock
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Check stock on Vitas-MAvailable files
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