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

Catalog ID
STK564130
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C22H26N4O5 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5/c1-12-15(13(2)24-17(12)22(30)31-5)19(27)16-18(14-6-8-23-9-7-14)26(11-10-25(3)4)21(29)20(16)28/h6-9,18,24,27H,10-11H2,1-5H3/b19-16+
InChIKey
CQCBQFUWQODDPG-KNTRCKAVSA-N
Synonyms
845668-80-6
(E)(1(2(dimethylammonio)ethyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
845668806
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=NC=C3)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)CC(NH+)(C)C)(O))C
InChI=1SC22H26N4O5c11215(13(2)2417(12)22(30)315)19(27)1618(1468239714)26(111025(3)4)21(29)20(16)28h69182427H1011H215H3b1916+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY5OXO2(4PYRIDYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
methyl4((E)(1(2(dimethylamino)ethyl)45dioxo2pyridin4ylpyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
METHYL4((E)(1(2DIMETHYLAMINOETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIMETHYLAMINOETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244471
ZINC000102526059
ZINC000102526066

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Available files

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