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

Catalog ID
STL047039
SMILES COC(=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 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(14-7-6-8-23-11-14)26(10-9-25(3)4)21(29)20(16)28/h6-8,11,18,24,27H,9-10H2,1-5H3/b19-16+
InChIKey
SJPHGTDQNBPASD-KNTRCKAVSA-N
Synonyms
844645-45-0
(E)(1(2(dimethylammonio)ethyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
844645450
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CN=CC=C3)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccnc1)CC(NH+)(C)C)(O))C
InChI=1SC22H26N4O5c11215(13(2)2417(12)22(30)315)19(27)1618(14768231114)26(10925(3)4)21(29)20(16)28h6811182427H910H215H3b1916+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY5OXO2(3PYRIDYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
methyl4((E)(1(2(dimethylamino)ethyl)45dioxo2pyridin3ylpyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
METHYL4((E)(1(2DIMETHYLAMINOETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIMETHYLAMINOETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248977
ZINC000102882290
ZINC000102882291

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Available files

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