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CS-W001157 4
Total: USD 88.00

(R,E)-3-((4-Oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)amino)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one  (Sita

  • CAS No. 898543-70-9

  • Cat. No. CS-0167426
  • Molecule weight795.58
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

(R,E)-3-((4-Oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)amino)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one  (Sita|CS-0167426

Structure of 898543-70-9

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General Information

  • CAS No. 898543-70-9
  • Cat. No. CS-0167426
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₂H₂₅F₁₂N₉O₂
  • Molecular Weight 795.58
  • Synonym(s) Sitagliptin Impurity B
  • SMILES O=C(N1CC2=NN=C(C(F)(F)F)N2CC1)/C=C(N[C@@H](CC(N3CC4=NN=C(C(F)(F)F)N4CC3)=O)CC5=CC(F)=C(F)C=C5F)\CC6=CC(F)=C(F)C=C6F

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   114.07
  • LogP   4.844
  • H_Acceptors   9
  • H_Donors   1
  • Rotatable_Bonds   9

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