Vitas-M small molecule compound

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

Catalog ID
STL147501
SMILES Brc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CC[NH+](C)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 C21H21BrN2O3 MW 429.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O3/c1-23(2)12-13-24-18(14-8-10-16(22)11-9-14)17(20(26)21(24)27)19(25)15-6-4-3-5-7-15/h3-11,18,25H,12-13H2,1-2H3/b19-17+
InChIKey
ATIMNFIFILKGQM-HTXNQAPBSA-N
Synonyms
309923-51-1
(4E)5(4BROMOPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
(E)(2(4BROMOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
1(2(DIMETHYLAMINO)ETHYL)5(4BROMOPHENYL)3HYDROXY4(PHENYLCARBONYL)3PYRROLIN2ONE
309923511
4BENZOYL5(4BROMOPHENYL)1(2(DIMETHYLAMINO)ETHYL)3HYDROXY15DIHYDRO2HPYRROL2ONE
Brc1ccc(cc1)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CC(NH+)(C)C
C(NH+)(C)CCN1C(C(=C(C2=CC=CC=C2)(O))C(=O)C1=O)C3=CC=C(C=C3)Br
InChI=1SC21H21BrN2O3c123(2)12132418(1481016(22)11914)17(20(26)21(24)27)19(25)156435715h3111825H1213H212H3b1917+
MFCD20755206
ZINC000008817407
ZINC000008817408

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Available files

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