Vitas-M small molecule compound

2,3-diphenyltetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one

Catalog ID
STK825604
SMILES O=C1N2CCCN2C(N1c1ccccc1)c1ccccc1

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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 C17H17N3O MW 279.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O/c21-17-19-13-7-12-18(19)16(14-8-3-1-4-9-14)20(17)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKey
LLXOQCHUJGGJPN-UHFFFAOYSA-N
Synonyms

12diphenyl1567tetrahydropyrazolo(12a)(124)triazol3one
23diphenyltetrahydro1H5Hpyrazolo(12a)(124)triazol1one
23diphenyltetrahydropyrazolo(12a)(124)triazol1(5H)one
23DIPHENYLTETRAHYDROPYRAZOLO(12A)(124)TRIAZOL1ONE
C1CN2C(N(C(=O)N2C1)C3=CC=CC=C3)C4=CC=CC=C4
InChI=1SC17H17N3Oc2117191371218(19)16(148314914)20(17)15105261115h1681116H71213H2
MFCD02197699
ZINC000000174487
ZINC000000174488

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Available files

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