Vitas-M small molecule compound

4-[(4-benzylpiperidinium-1-yl)methyl]-7-methyl-2-oxo-2H-chromen-6-olate

Catalog ID
STL514949
SMILES O=c1cc(C[NH+]2CCC(CC2)Cc2ccccc2)c2c(o1)cc(c(c2)[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 C23H25NO3 MW 363.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO3/c1-16-11-22-20(14-21(16)25)19(13-23(26)27-22)15-24-9-7-18(8-10-24)12-17-5-3-2-4-6-17/h2-6,11,13-14,18,25H,7-10,12,15H2,1H3
InChIKey
BFARNBHSGHICRR-UHFFFAOYSA-N
Synonyms
859111-47-0
4((4benzylpiperidin1ium1yl)methyl)7methyl2oxochromen6olate
4((4benzylpiperidinium1yl)methyl)7methyl2oxo2Hchromen6olate
44665908
859111470
MFCD05674905
ZINC000002158225

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Available files

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