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(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STK559816
SMILES C=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 C26H31N3O6 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O6/c1-7-14-35-18-10-8-17(9-11-18)22-20(24(31)25(32)29(22)13-12-28(4)5)23(30)19-15(2)21(26(33)34-6)27-16(19)3/h7-11,22,27,30H,1,12-14H2,2-6H3/b23-20+
InChIKey
CXABBZNOMGYCPW-BSYVCWPDSA-N
Synonyms
623124-70-9
(E)(1(2(dimethylammonio)ethyl)45dioxo2(4(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
623124709
C=CCOc1ccc(cc1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=C(C=C3)OCC=C)(O))C)C(=O)OC
InChI=1SC26H31N3O6c1714351810817(91118)2220(24(31)25(32)29(22)131228(4)5)23(30)1915(2)21(26(33)346)2716(19)3h711222730H11214H226H3b2320+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY5OXO2(4PROP2ENYLOXYPHENYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(2DIMETHYLAMINOETHYL)45DIOXO2(4PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIMETHYLAMINOETHYL)45DIOXO2(4PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243375
ZINC000100607205
ZINC000100607208

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Available files

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