Sitagliptin Impurity 97

cas: 1675201-13-4 — see every product listed under this CAS number, including other names

Sitagliptin Impurity 97 (CAS 1675201-13-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-S200797
cas1675201-13-4
sizeon request
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Structural formula: {0} (CAS {1})

1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one (CAS 1675201-13-4) is a chemical compound with the molecular formula C16H12F6N4O and a molecular weight of 390.28 g/mol. IUPAC name: 1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one. InChIKey: QSSHJJFVCWMIKH-UHFFFAOYSA-N.

Identity
Molecular formulaC16H12F6N4O
Molecular weight390.28 g/mol
IUPAC name1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one
InChIKeyQSSHJJFVCWMIKH-UHFFFAOYSA-N
SMILESC1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C=CCC3=CC(=C(C=C3F)F)F

Computed by PubChem (NCBI)

Synonyms: Sitagliptin FP Impurity D, Sitagliptin Impurity 97, QSSHJJFVCWMIKH-UHFFFAOYSA-N
Related forms of this compound
(E)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one C16H12F6N4O
(Z)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one C16H12F6N4O
Isomers (same molecular formula)
1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-3-en-1-one C16H12F6N4O
(E)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-3-en-1-one C16H12F6N4O