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(E)-{1-[2-(dimethylammonio)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STL039662
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CC[NH+](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 C25H31N3O5 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5/c1-7-33-25(32)20-15(3)18(16(4)26-20)22(29)19-21(17-10-8-14(2)9-11-17)28(13-12-27(5)6)24(31)23(19)30/h8-11,21,26,29H,7,12-13H2,1-6H3/b22-19+
InChIKey
WVRRRGLWGZWMPM-ZBJSNUHESA-N
Synonyms
862194-73-8
(E)(1(2(dimethylammonio)ethyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
862194738
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=C(C=C3)C)(O))C
ETHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY2(4METHYLPHENYL)5OXO25DIHYDRO1HPYRROL3YL)CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((E)(1(2DIMETHYLAMINOETHYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC25H31N3O5c173325(32)2015(3)18(16(4)2620)22(29)1921(1710814(2)91117)28(131227(5)6)24(31)23(19)30h811212629H71213H216H3b2219+
MFCD18247872
ZINC000102863301
ZINC000102863303

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Available files

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