Vitas-M small molecule compound
(3,4-dimethoxyphenyl)[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK191687
SMILES COc1ccc(cc1OC)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 C17H19F3N2O4 MW 372.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19F3N2O4/c1-25-13-8-7-10(9-14(13)26-2)15(23)22-16(24,17(18,19)20)11-5-3-4-6-12(11)21-22/h7-9,11,24H,3-6H2,1-2H3InChIKey
YCCYQWKGDHBUFB-UHFFFAOYSA-NSynonyms
(34dimethoxyphenyl)(3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)methanone
(34dimethoxyphenyl)(3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)methanone
COC1=C(C=C(C=C1)C(=O)N2C(C3CCCCC3=N2)(C(F)(F)F)O)OC
InChI=1SC17H19F3N2O4c125138710(914(13)262)15(23)2216(2417(1819)20)11534612(11)2122h791124H36H212H3
MFCD03724689
ZINC000000793132
ZINC000000793135
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