Vitas-M small molecule compound
[(7Z)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](2,3,4,5-tetrafluorophenyl)methanone
Catalog ID
STK889302
SMILES O=C(c1cc(F)c(c(c1F)F)F)N1N=C2C(C1c1ccccc1)CCC/C/2=C/c1ccccc1
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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 C27H20F4N2O MW 464.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20F4N2O/c28-21-15-20(22(29)24(31)23(21)30)27(34)33-26(17-10-5-2-6-11-17)19-13-7-12-18(25(19)32-33)14-16-8-3-1-4-9-16/h1-6,8-11,14-15,19,26H,7,12-13H2/b18-14-InChIKey
OEEMHTKZNBDQSK-JXAWBTAJSA-NSynonyms
((7Z)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)(2345tetrafluorophenyl)methanone
((7Z)7benzylidene3phenyl3a456tetrahydro3Hindazol2yl)(2345tetrafluorophenyl)methanone
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)C4=CC(=C(C(=C4F)F)F)F)C5=CC=CC=C5
InChI=1SC27H20F4N2Oc28211520(22(29)24(31)23(21)30)27(34)3326(17105261117)191371218(25(19)3233)14168314916h1681114151926H71213H2b1814
MFCD18172104
O=C(c1cc(F)c(c(c1F)F)F)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
ZINC000034738105
ZINC000040487525
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