Vitas-M small molecule compound
[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-iodophenyl)methanone
Catalog ID
STK096588
SMILES Ic1ccc(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 C15H14F3IN2O2 MW 438.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14F3IN2O2/c16-15(17,18)14(23)11-3-1-2-4-12(11)20-21(14)13(22)9-5-7-10(19)8-6-9/h5-8,11,23H,1-4H2InChIKey
WCTRGUYOHRBUIC-UHFFFAOYSA-NSynonyms
(3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)(4iodophenyl)methanone
(3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)(4iodophenyl)methanone
C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)I
Ic1ccc(cc1)C(=O)N1N=C2C(C1(O)C(F)(F)F)CCCC2
InChI=1SC15H14F3IN2O2c1615(1718)14(23)11312412(11)2021(14)13(22)95710(19)869h581123H14H2
MFCD03033808
STK096588
ZINC000009730683
ZINC000013895648
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