Vitas-M small molecule compound

[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl][1-(methylsulfonyl)piperidin-4-yl]methanone

Catalog ID
STK309784
SMILES CC1=NN(C(C1)(O)C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)C

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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 C12H18F3N3O4S MW 357.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18F3N3O4S/c1-8-7-11(20,12(13,14)15)18(16-8)10(19)9-3-5-17(6-4-9)23(2,21)22/h9,20H,3-7H2,1-2H3
InChIKey
RPYQSCTWGYDQKN-UHFFFAOYSA-N
Synonyms
832115-55-6
(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)(1(methylsulfonyl)piperidin4yl)methanone
(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)(1METHYLSULFONYLPIPERIDIN4YL)METHANONE
832115556
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2CCN(CC2)S(=O)(=O)C
InChI=1SC12H18F3N3O4Sc18711(2012(1314)15)18(168)10(19)93517(649)23(221)22h920H37H212H3
MFCD04133906
ZINC000006263561
ZINC000006263577

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Available files

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