Vitas-M small molecule compound
[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3-nitrophenyl)methanone
Catalog ID
STK877299
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCC2)c1cccc(c1)[N+](=O)[O-]
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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 C15H14F3N3O4 MW 357.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14F3N3O4/c16-15(17,18)14(23)11-6-1-2-7-12(11)19-20(14)13(22)9-4-3-5-10(8-9)21(24)25/h3-5,8,11,23H,1-2,6-7H2InChIKey
JMNAMCJDPQGZKJ-UHFFFAOYSA-NSynonyms
(3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)(3nitrophenyl)methanone
(3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)(3nitrophenyl)methanone
C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC15H14F3N3O4c1615(1718)14(23)11612712(11)1920(14)13(22)943510(89)21(24)25h3581123H1267H2
MFCD02106513
O=C(N1N=C2C(C1(O)C(F)(F)F)CCCC2)c1cccc(c1)(N+)(=O)(O)
ZINC000001212550
ZINC000001212556
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Check stock on Vitas-MAvailable files
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