Vitas-M small molecule compound

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

Catalog ID
STK333486
SMILES O=C1CCCC2=C1C(c1ccccc1Cl)n1c(N2)ncn1

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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 C15H13ClN4O MW 300.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13ClN4O/c16-10-5-2-1-4-9(10)14-13-11(6-3-7-12(13)21)19-15-17-8-18-20(14)15/h1-2,4-5,8,14H,3,6-7H2,(H,17,18,19)
InChIKey
ZPKHOHZLBGFZIR-UHFFFAOYSA-N
Synonyms
459421-94-4
459421944
9(2chlorophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(2chlorophenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1CC2=C(C(N3C(=N2)N=CN3)C4=CC=CC=C4Cl)C(=O)C1
InChI=1SC15H13ClN4Oc161052149(10)141311(63712(13)21)19151781820(14)15h1245814H367H2(H171819)
MFCD02971632
ZINC000000066975
ZINC000000066978

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Available files

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