Vitas-M small molecule compound

6-(azepan-1-yl)-3-(pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazine

Catalog ID
STL438551
SMILES FC(C(c1nnc2n1nc(cc2)N1CCCCCC1)(F)F)(F)F

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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 C13H14F5N5 MW 335.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14F5N5/c14-12(15,13(16,17)18)11-20-19-9-5-6-10(21-23(9)11)22-7-3-1-2-4-8-22/h5-6H,1-4,7-8H2
InChIKey
WYFTYCKGNDZCOB-UHFFFAOYSA-N
Synonyms
340007-49-0
124TRIAZOLO(43B)PYRIDAZINE6(1PERHYDROAZEPINYL)3PENTAFLUOROETHYL
340007490
6(azepan1yl)3(11222pentafluoroethyl)(124)triazolo(43b)pyridazine
6(azepan1yl)3(pentafluoroethyl)(124)triazolo(43b)pyridazine
6AZEPAN1YL3(PENTAFLUOROETHYL)(124)TRIAZOLO(43B)PYRIDAZINE
C1CCCN(CC1)C2=NN3C(=NN=C3C(C(F)(F)F)(F)F)C=C2
InChI=1SC13H14F5N5c1412(1513(1617)18)11201995610(2123(9)11)2273124822h56H1478H2
MFCD01821997
ZINC000000103125
ZINC00103125
ZINC103125

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.