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

Catalog ID
STK563353
SMILES COC(=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 C24H29N3O5 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O5/c1-13-7-9-16(10-8-13)20-18(22(29)23(30)27(20)12-11-26(4)5)21(28)17-14(2)19(24(31)32-6)25-15(17)3/h7-10,20,25,28H,11-12H2,1-6H3/b21-18+
InChIKey
XQYOQGSMUALGTQ-DYTRJAOYSA-N
Synonyms
845669-07-0
(E)(1(2(dimethylammonio)ethyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
845669070
CC1=CC=C(C=C1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)(O))C(=O)C(=O)N2CC(NH+)(C)C
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CC(NH+)(C)C)(O))C
InChI=1SC24H29N3O5c1137916(10813)2018(22(29)23(30)27(20)121126(4)5)21(28)1714(2)19(24(31)326)2515(17)3h710202528H1112H216H3b2118+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY2(4METHYLPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(2DIMETHYLAMINOETHYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244272
ZINC000008836631
ZINC000008836632

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Available files

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