Vitas-M small molecule compound

[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-nitrophenyl)methanone

Catalog ID
STK191543
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCC2)c1ccc(cc1)[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)11-3-1-2-4-12(11)19-20(14)13(22)9-5-7-10(8-6-9)21(24)25/h5-8,11,23H,1-4H2
InChIKey
KVXMFALNGFOCRG-UHFFFAOYSA-N
Synonyms

(3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)(4nitrophenyl)methanone
(3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)(4nitrophenyl)methanone
C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC15H14F3N3O4c1615(1718)14(23)11312412(11)1920(14)13(22)95710(869)21(24)25h581123H14H2
MFCD02982643
O=C(N1N=C2C(C1(O)C(F)(F)F)CCCC2)c1ccc(cc1)(N+)(=O)(O)
ZINC000004725158
ZINC000004725162

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.