Vitas-M small molecule compound
1-{4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl}azepane
Catalog ID
STK069676
SMILES FC(C(C(F)(F)F)(C(F)(F)F)c1nc(nc(n1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)N1CCCCCC1)(F)F
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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 C17H12F18N4 MW 614.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12F18N4/c18-12(19,20)10(13(21,22)23,14(24,25)26)7-36-8(38-9(37-7)39-5-3-1-2-4-6-39)11(15(27,28)29,16(30,31)32)17(33,34)35/h1-6H2InChIKey
PVSWIGMWTJVBGS-UHFFFAOYSA-NSynonyms
254118-25-71(46bis(111333hexafluoro2(trifluoromethyl)propan2yl)135triazin2yl)azepane
1(46BIS(222TRIFLUORO11BIS(TRIFLUOROMETHYL)ETHYL)135TRIAZIN2YL)AZEPANE
135TRIAZINE2(PERHYDROAZEPIN1YL)46BIS(PERFLUOROTERTBUTYL)
2(HEXAHYDROAZEPIN1YL)46BIS(222TRIFLUORO11BIS(TRIFLUOROMETHYL)ETHYL)135TRIAZINE
254118257
C1CCCN(CC1)C2=NC(=NC(=N2)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
FC(C(C(F)(F)F)(C(F)(F)F)c1nc(nc(n1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)N1CCCCCC1)(F)F
InChI=1SC17H12F18N4c1812(1920)10(13(2122)2314(2425)26)7368(389(377)3953124639)11(15(2728)2916(3031)32)17(3334)35h16H2
MFCD00823151
STK069676
ZINC000097940230
ZINC97940230
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.