Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(phenyl)methanolate

Catalog ID
STK560223
SMILES C[NH+](CCN1C(c2ccccc2)/C(=C(/c2ccccc2)\[O-])/C(=O)C1=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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-22(2)13-14-23-18(15-9-5-3-6-10-15)17(20(25)21(23)26)19(24)16-11-7-4-8-12-16/h3-12,18,24H,13-14H2,1-2H3/b19-17+
InChIKey
JOSBVQBWPCMIGR-HTXNQAPBSA-N
Synonyms
5961-42-2
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(PHENYL)METHYLIDENE)5PHENYLPYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2phenylpyrrolidin3ylidene)(phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
4BENZOYL1(2(DIMETHYLAMINO)ETHYL)3HYDROXY5PHENYL15DIHYDRO2HPYRROL2ONE
4BENZOYL1(2DIMETHYLAMINOETHYL)3HYDROXY5PHENYL15DIHYDROPYRROL2ONE
5961422
C(NH+)(C)CCN1C(C(=C(C2=CC=CC=C2)(O))C(=O)C1=O)C3=CC=CC=C3
C(NH+)(CCN1C(c2ccccc2)C(=C(c2ccccc2)(O))C(=O)C1=O)C
InChI=1SC21H22N2O3c122(2)13142318(1595361015)17(20(25)21(23)26)19(24)16117481216h3121824H1314H212H3b1917+
MFCD18243477
ZINC000102494121
ZINC000102494129

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Available files

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