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

Catalog ID
STL045399
SMILES CCOc1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OCC)/[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 C27H35N3O6 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O6/c1-7-35-19-12-10-18(11-13-19)23-21(25(32)26(33)30(23)15-9-14-29(5)6)24(31)20-16(3)22(28-17(20)4)27(34)36-8-2/h10-13,23,28,31H,7-9,14-15H2,1-6H3/b24-21+
InChIKey
MQTLNRHMXFGASF-DARPEHSRSA-N
Synonyms
846062-47-3
(E)(1(3(dimethylammonio)propyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
846062473
CCOC1=CC=C(C=C1)C2C(=C(C3=C(NC(=C3C)C(=O)OCC)C)O)C(=O)C(=O)N2CCCN(C)C
CCOc1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OCC)(O)
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)2(4ETHOXYPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC27H35N3O6c173519121018(111319)2321(25(32)26(33)30(23)1591429(5)6)24(31)2016(3)22(2817(20)4)27(34)3682h1013232831H791415H216H3b2421+
MFCD18248630
ZINC000009334215
ZINC000009334217

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Available files

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