Vitas-M small molecule compound

1-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-4-(2-methylbenzyl)piperazine

Catalog ID
STL405055
SMILES Cc1ccccc1CN1CCN(CC1)S(=O)(=O)c1cnn(c1C)C(F)F

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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 C17H22F2N4O2S MW 384.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22F2N4O2S/c1-13-5-3-4-6-15(13)12-21-7-9-22(10-8-21)26(24,25)16-11-20-23(14(16)2)17(18)19/h3-6,11,17H,7-10,12H2,1-2H3
InChIKey
HXTASGZBWNFZGI-UHFFFAOYSA-N
Synonyms
1006352-29-9
1((1(difluoromethyl)5methyl1Hpyrazol4yl)sulfonyl)4(2methylbenzyl)piperazine
1(1(difluoromethyl)5methylpyrazol4yl)sulfonyl4((2methylphenyl)methyl)piperazine
1006352299
CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=C(N(N=C3)C(F)F)C
InChI=1SC17H22F2N4O2Sc113534615(13)12217922(10821)26(2425)16112023(14(16)2)17(18)19h361117H71012H212H3
MFCD08556100
ZINC000036614651
ZINC36614651

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Available files

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