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(E)-(3-chloro-4-methoxyphenyl){1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STK559562
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CC[NH+](C)C)/[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 C21H22ClN3O4 MW 415.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O4/c1-24(2)10-11-25-18(13-6-8-23-9-7-13)17(20(27)21(25)28)19(26)14-4-5-16(29-3)15(22)12-14/h4-9,12,18,26H,10-11H2,1-3H3/b19-17+
InChIKey
OVDCAFDNVVXPMJ-HTXNQAPBSA-N
Synonyms
636992-05-7
(4E)4((3chloro4methoxyphenyl)hydroxymethylidene)1(2(dimethylamino)ethyl)5pyridin4ylpyrrolidine23dione
(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(4Z)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(2(dimethylammonio)ethyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
636992057
CN(C)CCN1C(C(=C(C2=CC(=C(C=C2)OC)Cl)O)C(=O)C1=O)C3=CC=NC=C3
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccncc1)CC(NH+)(C)C)(O)
InChI=1SC21H22ClN3O4c124(2)10112518(1368239713)17(20(27)21(25)28)19(26)144516(293)15(22)1214h49121826H1011H213H3b1917+
MFCD18243303
ZINC000004333193
ZINC000004333197

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Available files

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