Vitas-M small molecule compound

1-{3-fluoro-4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl}butan-1-one

Catalog ID
STK765159
SMILES CCCC(=O)c1ccc(c(c1)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 C20H23FN2O3S MW 390.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23FN2O3S/c1-2-6-20(24)16-9-10-19(18(21)15-16)22-11-13-23(14-12-22)27(25,26)17-7-4-3-5-8-17/h3-5,7-10,15H,2,6,11-14H2,1H3
InChIKey
BWRFYUFVNHYVJN-UHFFFAOYSA-N
Synonyms
333751-76-1
1(3FLUORO4(4(PHENYLSULFONYL)1PIPERAZINYL)PHENYL)1BUTANONE
1(3fluoro4(4(phenylsulfonyl)piperazin1yl)phenyl)butan1one
1(3FLUORO4(4(PHENYLSULFONYL)PIPERAZINYL)PHENYL)BUTAN1ONE
1(4(4(BENZENESULFONYL)PIPERAZIN1YL)3FLUOROPHENYL)BUTAN1ONE
1(4(4BENZENESULFONYLPIPERAZIN1YL)3FLUOROPHENYL)BUTAN1ONE
333751761
BUTAN1ONE1(3FLUORO4(4PHENYLSULFONYL1PIPERAZINYL)PHENYL)
CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F
InChI=1SC20H23FN2O3Sc12620(24)1691019(18(21)1516)22111323(141222)27(2526)177435817h3571015H261114H21H3
MFCD02215626
ZINC000000891560
ZINC00891560
ZINC891560

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Available files

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