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

Catalog ID
STK559343
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OC)CCC[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 C26H33N3O6 MW 483.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O6/c1-7-35-26(33)21-15(2)19(16(3)27-21)23(30)20-22(17-10-8-11-18(14-17)34-6)29(25(32)24(20)31)13-9-12-28(4)5/h8,10-11,14,22,27,30H,7,9,12-13H2,1-6H3/b23-20+
InChIKey
HPGMZZRFEGPACG-BSYVCWPDSA-N
Synonyms

(E)(1(3(dimethylammonio)propyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)OC)CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=CC=C3)OC)O)C
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY2(3METHOXYPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC26H33N3O6c173526(33)2115(2)19(16(3)2721)23(30)2022(171081118(1417)346)29(25(32)24(20)31)1391228(4)5h8101114222730H791213H216H3b2320+
MFCD18243241
ZINC000102486271
ZINC000102486278

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Available files

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