Vitas-M small molecule compound
(E)-{2-(4-butoxy-3-ethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL045349
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)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 C31H40N2O6 MW 536.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O6/c1-6-8-16-38-25-13-10-21(19-26(25)37-7-2)28-27(30(35)31(36)33(28)15-9-14-32(4)5)29(34)22-11-12-24-23(18-22)17-20(3)39-24/h10-13,18-20,28,34H,6-9,14-17H2,1-5H3/b29-27+InChIKey
PANRTMOTATWIRB-ORIPQNMZSA-NSynonyms
843630-82-0(4E)5(4BUTOXY3ETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4butoxy3ethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4BUTOXY3ETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
843630820
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN(C)C)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC31H40N2O6c168163825131021(1926(25)3772)2827(30(35)31(36)33(28)1591432(4)5)29(34)2211122423(1822)1720(3)3924h101318202834H691417H215H3b2927+
MFCD18248621
ZINC000102878062
ZINC000102878069
Check stock
See real-time availability and sample size for STL045349 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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