Vitas-M small molecule compound
1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-phenylbutan-1-one
Catalog ID
STK191547
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCC2)CCCc1ccccc1
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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 C18H21F3N2O2 MW 354.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21F3N2O2/c19-18(20,21)17(25)14-10-4-5-11-15(14)22-23(17)16(24)12-6-9-13-7-2-1-3-8-13/h1-3,7-8,14,25H,4-6,9-12H2InChIKey
YHFVRAOXHJFOJX-UHFFFAOYSA-NSynonyms
1(3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)4phenylbutan1one
1(3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)4phenylbutan1one
C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)CCCC3=CC=CC=C3
InChI=1SC18H21F3N2O2c1918(2021)17(25)1410451115(14)2223(17)16(24)1269137213813h13781425H46912H2
MFCD02106506
ZINC000001212316
ZINC000001212322
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