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

Catalog ID
STL149900
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)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 C22H27N3O6 MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O6/c1-6-30-22(29)17-12(2)15(13(3)23-17)19(26)16-18(14-8-7-11-31-14)25(10-9-24(4)5)21(28)20(16)27/h7-8,11,18,23,26H,6,9-10H2,1-5H3/b19-16+
InChIKey
HGZTWEKBLIAURB-KNTRCKAVSA-N
Synonyms
848920-00-3
(E)(1(2(dimethylammonio)ethyl)2(furan2yl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
848920003
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccco1)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=CO3)(O))C
ETHYL4((1(2(DIMETHYLAMINO)ETHYL)2(2FURYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(2DIMETHYLAMINOETHYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC22H27N3O6c163022(29)1712(2)15(13(3)2317)19(26)1618(1487113114)25(10924(4)5)21(28)20(16)27h7811182326H6910H215H3b1916+
MFCD20755694
ZINC000102929920
ZINC000102929922

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Available files

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