Vitas-M small molecule compound
[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-methylphenyl)methanone
Catalog ID
STK022470
SMILES Cc1ccc(cc1)C(=O)N1N=C2C(C1(O)C(F)(F)F)CCCC2
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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 C16H17F3N2O2 MW 326.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F3N2O2/c1-10-6-8-11(9-7-10)14(22)21-15(23,16(17,18)19)12-4-2-3-5-13(12)20-21/h6-9,12,23H,2-5H2,1H3InChIKey
NFBUYGJJRDKMSD-UHFFFAOYSA-NSynonyms
(3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)(4methylphenyl)methanone
(3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)(4methylphenyl)methanone
CC1=CC=C(C=C1)C(=O)N2C(C3CCCCC3=N2)(C(F)(F)F)O
Cc1ccc(cc1)C(=O)N1N=C2C(C1(O)C(F)(F)F)CCCC2
InChI=1SC16H17F3N2O2c1106811(9710)14(22)2115(2316(1718)19)12423513(12)2021h691223H25H21H3
MFCD02633147
STK022470
ZINC000000280216
ZINC000000280222
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