Vitas-M small molecule compound

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

Catalog ID
STK326923
SMILES COc1ccc(cc1)C1C2=C(CCCC2=O)Nc2n1nnn2

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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 C15H15N5O2 MW 297.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N5O2/c1-22-10-7-5-9(6-8-10)14-13-11(3-2-4-12(13)21)16-15-17-18-19-20(14)15/h5-8,14H,2-4H2,1H3,(H,16,17,19)
InChIKey
CHPGGJUXBNVLKU-UHFFFAOYSA-N
Synonyms
681471-57-8
681471578
9(4methoxyphenyl)5679tetrahydro1Htetrazolo(51b)quinazolin8one
9(4methoxyphenyl)5679tetrahydrotetrazolo(51b)quinazolin8(4H)one
COC1=CC=C(C=C1)C2C3=C(CCCC3=O)N=C4N2NN=N4
InChI=1SC15H15N5O2c12210759(6810)141311(32412(13)21)161517181920(14)15h5814H24H21H3(H161719)
MFCD06466029
ZINC000006736621
ZINC000006736641

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Available files

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