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(E)-(3-chloro-4-ethoxyphenyl){1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STL040446
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CCC[NH+](CC)CC)/[O-]

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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 C25H30ClN3O4 MW 471.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30ClN3O4/c1-4-28(5-2)14-7-15-29-22(17-10-12-27-13-11-17)21(24(31)25(29)32)23(30)18-8-9-20(33-6-3)19(26)16-18/h8-13,16,22,30H,4-7,14-15H2,1-3H3/b23-21+
InChIKey
RQCBJKHFPISATQ-XTQSDGFTSA-N
Synonyms
636988-71-1
(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(4Z)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(diethylammonio)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY5(4PYRIDYL)3PYRROLIN2ONE
636988711
CC(NH+)(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OCC)Cl)(O))C(=O)C1=O)C3=CC=NC=C3
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)(CC)CC)(O)
InChI=1SC25H30ClN3O4c1428(52)147152922(17101227131117)21(24(31)25(29)32)23(30)188920(3363)19(26)1618h813162230H471415H213H3b2321+
MFCD18248036
ZINC000009177748
ZINC000009177753

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Available files

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