Vitas-M small molecule compound

4-{1-[2-(dimethylammonio)ethyl]-4-hydroxy-5-oxo-3-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl}phenolate

Catalog ID
STL037905
SMILES C[NH+](CCN1C(c2ccc(cc2)[O-])C(=C(C1=O)O)C(=O)c1ccccc1)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 C21H22N2O4 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4/c1-22(2)12-13-23-18(14-8-10-16(24)11-9-14)17(20(26)21(23)27)19(25)15-6-4-3-5-7-15/h3-11,18,24,26H,12-13H2,1-2H3
InChIKey
FWHMOCAPLULCTL-UHFFFAOYSA-N
Synonyms

4(1(2(dimethylammonio)ethyl)4hydroxy5oxo3(phenylcarbonyl)25dihydro1Hpyrrol2yl)phenolate
C(NH+)(CCN1C(c2ccc(cc2)(O))C(=C(C1=O)O)C(=O)c1ccccc1)C
MFCD02048199
ZINC000019788483
ZINC000019788485

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Available files

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