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

Catalog ID
STL046182
SMILES CCOc1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[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 C25H31N3O6 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O6/c1-7-34-17-10-8-16(9-11-17)21-19(23(30)24(31)28(21)13-12-27(4)5)22(29)18-14(2)20(25(32)33-6)26-15(18)3/h8-11,21,26,29H,7,12-13H2,1-6H3/b22-19+
InChIKey
WNDNJOWESGSPTI-ZBJSNUHESA-N
Synonyms
844824-42-6
(E)(1(2(dimethylammonio)ethyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
844824426
CCOC1=CC=C(C=C1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)(O))C(=O)C(=O)N2CC(NH+)(C)C
CCOc1ccc(cc1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC25H31N3O6c17341710816(91117)2119(23(30)24(31)28(21)131227(4)5)22(29)1814(2)20(25(32)336)2615(18)3h811212629H71213H216H3b2219+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)2(4ETHOXYPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((1(2(DIMETHYLAMINO)ETHYL)2(4ETHOXYPHENYL)4HYDROXY5OXO25DIHYDRO1HPYRROL3YL)CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((E)(1(2DIMETHYLAMINOETHYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248798
ZINC000102879884
ZINC000102879886

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Available files

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