Vitas-M small molecule compound

1-[4-(2,3-difluorobenzyl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one

Catalog ID
STL178329
SMILES O=C(N1CCN(CC1)Cc1cccc(c1F)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 C20H22F2N2O3S MW 408.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22F2N2O3S/c21-18-8-4-5-16(20(18)22)15-23-10-12-24(13-11-23)19(25)9-14-28(26,27)17-6-2-1-3-7-17/h1-8H,9-15H2
InChIKey
HQFATTWTVZLDED-UHFFFAOYSA-N
Synonyms
832147-19-0
1(4(23difluorobenzyl)piperazin1yl)3(phenylsulfonyl)propan1one
3(benzenesulfonyl)1(4((23difluorophenyl)methyl)piperazin1yl)propan1one
832147190
C1CN(CCN1CC2=C(C(=CC=C2)F)F)C(=O)CCS(=O)(=O)C3=CC=CC=C3
InChI=1SC20H22F2N2O3Sc211884516(20(18)22)1523101224(131123)19(25)91428(2627)176213717h18H915H2
MFCD04138172
ZINC000036611207
ZINC36611207

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Available files

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