Vitas-M small molecule compound

1-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(3-methylbenzyl)piperazine

Catalog ID
STK310150
SMILES Cc1cccc(c1)CN1CCN(CC1)S(=O)(=O)c1c(C)nn(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 C18H24F2N4O2S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24F2N4O2S/c1-13-5-4-6-16(11-13)12-22-7-9-23(10-8-22)27(25,26)17-14(2)21-24(15(17)3)18(19)20/h4-6,11,18H,7-10,12H2,1-3H3
InChIKey
KLQWUHPXGIUOQC-UHFFFAOYSA-N
Synonyms
1005658-09-2
1((1(difluoromethyl)35dimethyl1Hpyrazol4yl)sulfonyl)4(3methylbenzyl)piperazine
1(1(difluoromethyl)35dimethylpyrazol4yl)sulfonyl4((3methylphenyl)methyl)piperazine
1005658092
CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=C(N(N=C3C)C(F)F)C
InChI=1SC18H24F2N4O2Sc11354616(1113)12227923(10822)27(2526)1714(2)2124(15(17)3)18(19)20h461118H71012H213H3
MFCD04134988
ZINC000020044959
ZINC20044959

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Available files

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