Home
>
Reference Standards>
>
4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorop
For research use only. Not for therapeutic Use.
Catalog Number | R008914 |
CAS Number | 764667-65-4 |
Synonyms | 1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]?-4-(2,4,5-trifluorophenyl)-1,3-butanedione; rac-Sitagliptin 3-Ketone |
Molecular Formula | C16H12F6N4O2 |
Purity | ≥95% |
Storage | -20°C |
IUPAC Name | 1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butane-1,3-dione |
InChI | InChI=1S/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2 |
InChIKey | QAEDTLFWHIEVPK-UHFFFAOYSA-N |
SMILES | C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(=O)CC3=CC(=C(C=C3F)F)F |