Vitas-M small molecule compound

8-[(2-ethylpiperidinium-1-yl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-olate

Catalog ID
STK599630
SMILES CCC1CCCC[NH+]1Cc1c([O-])ccc2c1oc(c(c2=O)c1ccccc1)C(F)(F)F

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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 C24H24F3NO3 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24F3NO3/c1-2-16-10-6-7-13-28(16)14-18-19(29)12-11-17-21(30)20(15-8-4-3-5-9-15)23(24(25,26)27)31-22(17)18/h3-5,8-9,11-12,16,29H,2,6-7,10,13-14H2,1H3
InChIKey
ABSLZLFSUQLLFG-UHFFFAOYSA-N
Synonyms
442651-54-9
442651549
CCC1CCCC(NH+)1Cc1c((O))ccc2c1oc(c(c2=O)c1ccccc1)C(F)(F)F
MFCD01650284
ZINC000004289895
ZINC000004289897

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Available files

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