Vitas-M small molecule compound

9-(3,5-difluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK232145
SMILES Fc1cc(F)cc(c1)C1C2=C(CCCC2=O)Nc2n1ncn2

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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 C15H12F2N4O MW 302.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12F2N4O/c16-9-4-8(5-10(17)6-9)14-13-11(2-1-3-12(13)22)20-15-18-7-19-21(14)15/h4-7,14H,1-3H2,(H,18,19,20)
InChIKey
JBGUAWSTWDVDJL-UHFFFAOYSA-N
Synonyms
777870-13-0
777870130
9(35difluorophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(35difluorophenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1CC2=C(C(N3C(=N2)N=CN3)C4=CC(=CC(=C4)F)F)C(=O)C1
InChI=1SC15H12F2N4Oc16948(510(17)69)141311(21312(13)22)20151871921(14)15h4714H13H2(H181920)
MFCD06602512
ZINC000004488233
ZINC000004488234

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Available files

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