Vitas-M small molecule compound

1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(trifluoromethyl)benzyl]piperazine

Catalog ID
STK310376
SMILES CCn1ncc(c1C)S(=O)(=O)N1CCN(CC1)Cc1cccc(c1)C(F)(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 C18H23F3N4O2S MW 416.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23F3N4O2S/c1-3-25-14(2)17(12-22-25)28(26,27)24-9-7-23(8-10-24)13-15-5-4-6-16(11-15)18(19,20)21/h4-6,11-12H,3,7-10,13H2,1-2H3
InChIKey
DXKYAKTVFVLLFA-UHFFFAOYSA-N
Synonyms
1005552-53-3
1((1ethyl5methyl1Hpyrazol4yl)sulfonyl)4(3(trifluoromethyl)benzyl)piperazine
1(1ethyl5methylpyrazol4yl)sulfonyl4((3(trifluoromethyl)phenyl)methyl)piperazine
1005552533
CCN1C(=C(C=N1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F)C
InChI=1SC18H23F3N4O2Sc132514(2)17(122225)28(2627)249723(81024)131554616(1115)18(1920)21h461112H371013H212H3
MFCD04135503
ZINC000020045086
ZINC20045086

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Available files

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