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

Catalog ID
STK559621
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCC[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 C24H30N4O5 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O5/c1-6-33-24(32)19-14(2)17(15(3)26-19)21(29)18-20(16-9-7-10-25-13-16)28(23(31)22(18)30)12-8-11-27(4)5/h7,9-10,13,20,26,29H,6,8,11-12H2,1-5H3/b21-18+
InChIKey
ZAOULCNWPJILSJ-DYTRJAOYSA-N
Synonyms
847857-06-1
(E)(1(3(dimethylammonio)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847857061
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CN=CC=C3)(O))C
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY5OXO2(3PYRIDYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC24H30N4O5c163324(32)1914(2)17(15(3)2619)21(29)1820(169710251316)28(23(31)22(18)30)1281127(4)5h791013202629H681112H215H3b2118+
MFCD18243319
ZINC000102488765
ZINC000102488772

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Available files

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