Vitas-M small molecule compound

1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-methylpropan-1-one

Catalog ID
STK099633
SMILES CC(C(=O)N1N=C2C(C1(O)C(F)(F)F)CCCC2)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 C12H17F3N2O2 MW 278.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17F3N2O2/c1-7(2)10(18)17-11(19,12(13,14)15)8-5-3-4-6-9(8)16-17/h7-8,19H,3-6H2,1-2H3
InChIKey
IDJQEYJDKDAWDT-UHFFFAOYSA-N
Synonyms

1(3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)2methylpropan1one
1(3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)2methylpropan1one
CC(C(=O)N1N=C2C(C1(O)C(F)(F)F)CCCC2)C
CC(C)C(=O)N1C(C2CCCCC2=N1)(C(F)(F)F)O
InChI=1SC12H17F3N2O2c17(2)10(18)1711(1912(1314)15)853469(8)1617h7819H36H212H3
MFCD01909231
STK099633
ZINC000000196599
ZINC000000196609

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Available files

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