Vitas-M small molecule compound

[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl](1',3',5'-trimethyl-1'H,2H-3,4'-bipyrazol-5-yl)methanone

Catalog ID
STL314632
SMILES O=C(N1CCn2c(C1)nnc2C(F)(F)F)c1n[nH]c(c1)c1c(C)nn(c1C)C

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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 C16H17F3N8O MW 394.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F3N8O/c1-8-13(9(2)25(3)24-8)10-6-11(21-20-10)14(28)26-4-5-27-12(7-26)22-23-15(27)16(17,18)19/h6H,4-5,7H2,1-3H3,(H,20,21)
InChIKey
DAXYOPODXKXXJJ-UHFFFAOYSA-N
Synonyms
1489259-22-4
(3(trifluoromethyl)56dihydro(124)triazolo(43a)pyrazin7(8H)yl)(135trimethyl1H1H(34bipyrazol)5yl)methanone
(3(trifluoromethyl)56dihydro(124)triazolo(43a)pyrazin7(8H)yl)(135trimethyl1H2H34bipyrazol5yl)methanone
(3(trifluoromethyl)68dihydro5H(124)triazolo(43a)pyrazin7yl)(3(135trimethylpyrazol4yl)1Hpyrazol5yl)methanone
1489259224
CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)N3CCN4C(=NN=C4C(F)(F)F)C3
Cc1nn(c(c1c1n(nH)c(c1)C(=O)N1CCn2c(C1)nnc2C(F)(F)F)C)C
InChI=1SC16H17F3N8Oc1813(9(2)25(3)248)10611(212010)14(28)26452712(726)222315(27)16(1718)19h6H457H213H3(H2021)
MFCD28030824
O=C(N1CCn2c(C1)nnc2C(F)(F)F)c1n(nH)c(c1)c1c(C)nn(c1C)C
ZINC000095476475
ZINC95476475

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Available files

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