Vitas-M small molecule compound

5-(azepan-1-ylmethyl)-2-hydroxy-3-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-4H-pyran-4-one

Catalog ID
STL313501
SMILES Oc1occ(c(=O)c1CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)CN1CCCCCC1

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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 C23H29F3N4O3 MW 466.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29F3N4O3/c24-23(25,26)18-5-6-20(27-13-18)30-11-9-29(10-12-30)15-19-21(31)17(16-33-22(19)32)14-28-7-3-1-2-4-8-28/h5-6,13,16,32H,1-4,7-12,14-15H2
InChIKey
HLAGRVUVIFTWIS-UHFFFAOYSA-N
Synonyms

5(azepan1ylmethyl)2hydroxy3((4(5(trifluoromethyl)pyridin2yl)piperazin1yl)methyl)4Hpyran4one
MFCD22582787
ZINC000101374450

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Available files

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