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.

  • CAT Number: R008914
  • CAS Number: 764667-65-4
  • Molecular Formula: C16H12F6N4O2
  • Molecular Weight: 406.288
  • Purity: ≥95%
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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

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