Vitas-M small molecule compound

3-(phenylsulfonyl)-1-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}propan-1-one

Catalog ID
STK311355
SMILES O=C(N1CCN(CC1)Cc1cccc(c1)C(F)(F)F)CCS(=O)(=O)c1ccccc1

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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 C21H23F3N2O3S MW 440.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F3N2O3S/c22-21(23,24)18-6-4-5-17(15-18)16-25-10-12-26(13-11-25)20(27)9-14-30(28,29)19-7-2-1-3-8-19/h1-8,15H,9-14,16H2
InChIKey
YUHRVGJRHOKNGY-UHFFFAOYSA-N
Synonyms

3(benzenesulfonyl)1(4((3(trifluoromethyl)phenyl)methyl)piperazin1yl)propan1one
3(phenylsulfonyl)1(4(3(trifluoromethyl)benzyl)piperazin1yl)propan1one
C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)CCS(=O)(=O)C3=CC=CC=C3
InChI=1SC21H23F3N2O3Sc2221(2324)1864517(1518)1625101226(131125)20(27)91430(2829)197213819h1815H91416H2
MFCD04137650
ZINC000020045449
ZINC20045449

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Available files

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