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

Catalog ID
STK563421
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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(16-8-10-25-11-9-16)28(23(31)22(18)30)13-7-12-27(4)5/h8-11,20,26,29H,6-7,12-13H2,1-5H3/b21-18+
InChIKey
VBVOVFYFUIOYCT-DYTRJAOYSA-N
Synonyms
848213-45-6
(E)(1(3(dimethylammonio)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
4(1(3DIMETHYLAMINOPROPYL)4HYDROXY5OXO2PYRIDIN4YL25DIHYDRO1HPYRROLE3CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLICACIDETHYLESTER
848213456
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)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=CC=NC=C3)(O))C
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY5OXO2(4PYRIDYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC24H30N4O5c163324(32)1914(2)17(15(3)2619)21(29)1820(168102511916)28(23(31)22(18)30)1371227(4)5h811202629H671213H215H3b2118+
MFCD18244293
ZINC000102520372
ZINC000102520382

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Available files

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