Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL149956
SMILES CCOc1cc(ccc1O)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/[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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/c1-5-30(6-2)13-8-14-31-26(19-9-11-22(32)24(17-19)36-7-3)25(28(34)29(31)35)27(33)20-10-12-23-21(16-20)15-18(4)37-23/h9-12,16-18,26,32-33H,5-8,13-15H2,1-4H3/b27-25+InChIKey
RPEUHWPKDKMHCQ-IMVLJIQESA-NSynonyms
585556-35-0(4E)1(3(DIETHYLAMINO)PROPYL)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(3ethoxy4hydroxyphenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3ETHOXY4HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
585556350
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=CC(=C(C=C4)O)OCC
CCOc1cc(ccc1O)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)(O)
InChI=1SC29H36N2O6c1530(62)138143126(1991122(32)24(1719)3673)25(28(34)29(31)35)27(33)2010122321(1620)1518(4)3723h9121618263233H581315H214H3b2725+
MFCD20755705
ZINC000102929691
ZINC000102929698
Check stock
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