Vitas-M small molecule compound

9-(biphenyl-4-yl)-5,6,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK333570
SMILES O=C1CCCC2=C1C(c1ccc(cc1)c1ccccc1)n1c(N2)nnn1

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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 C20H17N5O MW 343.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O/c26-17-8-4-7-16-18(17)19(25-20(21-16)22-23-24-25)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,19H,4,7-8H2,(H,21,22,24)
InChIKey
QUHREFRMHLPRNX-UHFFFAOYSA-N
Synonyms

9(4phenylphenyl)5679tetrahydro1Htetrazolo(51b)quinazolin8one
9(biphenyl4yl)5679tetrahydrotetrazolo(51b)quinazolin8(4H)one
C1CC2=C(C(N3C(=N2)N=NN3)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)C1
InChI=1SC20H17N5Oc26178471618(17)19(2520(2116)22232425)1511914(101215)135213613h135691219H478H2(H212224)
MFCD09963153
ZINC000018196037
ZINC000018196039

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Available files

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