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

Catalog ID
STK565944
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)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 C26H31N3O7 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O7/c1-7-36-26(34)20-14(2)18(15(3)27-20)22(30)19-21(16-8-10-17(11-9-16)25(33)35-6)29(13-12-28(4)5)24(32)23(19)31/h8-11,21,27,30H,7,12-13H2,1-6H3/b22-19+
InChIKey
XWPITKAJEKJQOI-ZBJSNUHESA-N
Synonyms
848219-58-9
(E)(1(2(dimethylammonio)ethyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
848219589
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)CC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=C(C=C3)C(=O)OC)(O))C
ETHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY2(4(METHOXYCARBONYL)PHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(2DIMETHYLAMINOETHYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC26H31N3O7c173626(34)2014(2)18(15(3)2720)22(30)1921(1681017(11916)25(33)356)29(131228(4)5)24(32)23(19)31h811212730H71213H216H3b2219+
MFCD18244904
ZINC000102538390
ZINC000102538398

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Available files

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