Vitas-M small molecule compound
2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STK191520
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCC2)COc1ccc(c(c1)C)Cl
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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 C17H18ClF3N2O3 MW 390.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClF3N2O3/c1-10-8-11(6-7-13(10)18)26-9-15(24)23-16(25,17(19,20)21)12-4-2-3-5-14(12)22-23/h6-8,12,25H,2-5,9H2,1H3InChIKey
KJKDKGWDCIMMLR-UHFFFAOYSA-NSynonyms
2(4chloro3methylphenoxy)1(3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)ethanone
2(4chloro3methylphenoxy)1(3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)ethanone
CC1=C(C=CC(=C1)OCC(=O)N2C(C3CCCCC3=N2)(C(F)(F)F)O)Cl
InChI=1SC17H18ClF3N2O3c110811(6713(10)18)26915(24)2316(2517(1920)21)12423514(12)2223h681225H259H21H3
MFCD02766261
ZINC000001151702
ZINC000001151705
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