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

Catalog ID
STL039716
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)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 C23H28N4O5 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O5/c1-6-32-23(31)18-13(2)16(14(3)25-18)20(28)17-19(15-8-7-9-24-12-15)27(11-10-26(4)5)22(30)21(17)29/h7-9,12,19,25,28H,6,10-11H2,1-5H3/b20-17+
InChIKey
RKNKUMHUEZQFGF-LVZFUZTISA-N
Synonyms
847379-09-3
(E)(1(2(dimethylammonio)ethyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847379093
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccnc1)CC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CN=CC=C3)O)C
ETHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY5OXO2(3PYRIDYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ethyl4((E)(1(2(dimethylamino)ethyl)45dioxo2pyridin3ylpyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
ETHYL4((E)(1(2DIMETHYLAMINOETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(2DIMETHYLAMINOETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC23H28N4O5c163223(31)1813(2)16(14(3)2518)20(28)1719(15879241215)27(111026(4)5)22(30)21(17)29h7912192528H61011H215H3b2017+
MFCD18247888
ZINC000102865306
ZINC000102865308

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Available files

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