Vitas-M small molecule compound

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

Catalog ID
STK328405
SMILES Cc1ccc(cc1)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 C16H16N4O MW 280.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O/c1-10-5-7-11(8-6-10)15-14-12(3-2-4-13(14)21)19-16-17-9-18-20(15)16/h5-9,15H,2-4H2,1H3,(H,17,18,19)
InChIKey
UYTSSDZHKRVIIQ-UHFFFAOYSA-N
Synonyms
803743-80-8
803743808
9(4methylphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4methylphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
9(ptolyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
CC1=CC=C(C=C1)C2C3=C(CCCC3=O)N=C4N2NC=N4
InChI=1SC16H16N4Oc1105711(8610)151412(32413(14)21)19161791820(15)16h5915H24H21H3(H171819)
MFCD04976445
ZINC000005442941
ZINC000005442942

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Available files

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