Vitas-M small molecule compound

2-phenyl-3-(pyridin-3-yl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione

Catalog ID
STK710707
SMILES S=C1N2CCCN2C(N1c1ccccc1)c1cccnc1

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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 C16H16N4S MW 296.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4S/c21-16-19-11-5-10-18(19)15(13-6-4-9-17-12-13)20(16)14-7-2-1-3-8-14/h1-4,6-9,12,15H,5,10-11H2
InChIKey
SGDQHVOPLROCDY-UHFFFAOYSA-N
Synonyms

1H5HPYRAZOLO(12A)(124)TRIAZOLE1THIONETETRAHYDRO2PHENYL3(3PYRIDINYL)
2phenyl1pyridin3yl1567tetrahydropyrazolo(12a)(124)triazole3thione
2phenyl3(pyridin3yl)tetrahydro1H5Hpyrazolo(12a)(124)triazole1thione
C1CN2C(N(C(=S)N2C1)C3=CC=CC=C3)C4=CN=CC=C4
InChI=1SC16H16N4Sc2116191151018(19)15(13649171213)20(16)147213814h14691215H51011H2
MFCD06014832
ZINC000004622986
ZINC000004622990

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Available files

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