Vitas-M small molecule compound

4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-oxo-2H-chromen-6-olate

Catalog ID
STL516586
SMILES [O-]c1ccc2c(c1)c(C[NH+]1CCN(CC1)Cc1ccccc1)cc(=O)o2

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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/c24-18-6-7-20-19(13-18)17(12-21(25)26-20)15-23-10-8-22(9-11-23)14-16-4-2-1-3-5-16/h1-7,12-13,24H,8-11,14-15H2
InChIKey
MOFDKLUZENTMGZ-UHFFFAOYSA-N
Synonyms
859110-63-7
4((4benzylpiperazin1ium1yl)methyl)2oxo2Hchromen6olate
44664517
859110637
MFCD05675110
ZINC000019370412

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Available files

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