Vitas-M small molecule compound

[4-(phenylsulfonyl)piperazin-1-yl]{3-[(2,2,2-trifluoroethoxy)methyl]phenyl}methanone

Catalog ID
STK311609
SMILES O=C(c1cccc(c1)COCC(F)(F)F)N1CCN(CC1)S(=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 C20H21F3N2O4S MW 442.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F3N2O4S/c21-20(22,23)15-29-14-16-5-4-6-17(13-16)19(26)24-9-11-25(12-10-24)30(27,28)18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2
InChIKey
FBOHHJWRIBEHES-UHFFFAOYSA-N
Synonyms
832149-14-1
(4(benzenesulfonyl)piperazin1yl)(3(222trifluoroethoxymethyl)phenyl)methanone
(4(phenylsulfonyl)piperazin1yl)(3((222trifluoroethoxy)methyl)phenyl)methanone
832149141
C1CN(CCN1C(=O)C2=CC(=CC=C2)COCC(F)(F)F)S(=O)(=O)C3=CC=CC=C3
InChI=1SC20H21F3N2O4Sc2120(2223)1529141654617(1316)19(26)2491125(121024)30(2728)187213818h1813H9121415H2
MFCD05667095
ZINC000002728366
ZINC02728366
ZINC2728366

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Available files

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