Vitas-M small molecule compound

(E)-{2-(3-chlorophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate

Catalog ID
STK559236
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccncc2)/[O-])/C1c1cccc(c1)Cl)CC

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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 C22H24ClN3O3 MW 413.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O3/c1-3-25(4-2)12-13-26-19(16-6-5-7-17(23)14-16)18(21(28)22(26)29)20(27)15-8-10-24-11-9-15/h5-11,14,19,27H,3-4,12-13H2,1-2H3/b20-18+
InChIKey
QIZIVGPDVYJEJQ-CZIZESTLSA-N
Synonyms
627484-89-3
(4E)5(3chlorophenyl)1(2(diethylamino)ethyl)4(hydroxy(pyridin4yl)methylidene)pyrrolidine23dione
(4E)5(3CHLOROPHENYL)1(2DIETHYLAMINOETHYL)4(HYDROXY(PYRIDIN4YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3chlorophenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(pyridin4yl)methanolate
(E)(2(3CHLOROPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)PYRIDIN4YLMETHANOLATE
627484893
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccncc2)(O))C1c1cccc(c1)Cl)CC
CCN(CC)CCN1C(C(=C(C2=CC=NC=C2)O)C(=O)C1=O)C3=CC(=CC=C3)Cl
InChI=1SC22H24ClN3O3c1325(42)12132619(1665717(23)1416)18(21(28)22(26)29)20(27)158102411915h511141927H341213H212H3b2018+
MFCD18243218
ZINC000102485376
ZINC000102485383

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.