Vitas-M small molecule compound

9-(2-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK326933
SMILES COc1ccccc1C1C2=C(Nc3n1nnn3)CC(CC2=O)(C)C

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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 C17H19N5O2 MW 325.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O2/c1-17(2)8-11-14(12(23)9-17)15(22-16(18-11)19-20-21-22)10-6-4-5-7-13(10)24-3/h4-7,15H,8-9H2,1-3H3,(H,18,19,21)
InChIKey
MRXNACXGQHZJLD-UHFFFAOYSA-N
Synonyms
668469-50-9
668469509
9(2methoxyphenyl)66dimethyl1579tetrahydrotetrazolo(51b)quinazolin8one
9(2methoxyphenyl)66dimethyl5679tetrahydrotetrazolo(51b)quinazolin8(4H)one
CC1(CC2=C(C(N3C(=N2)N=NN3)C4=CC=CC=C4OC)C(=O)C1)C
InChI=1SC17H19N5O2c117(2)81114(12(23)917)15(2216(1811)19202122)10645713(10)243h4715H89H213H3(H181921)
MFCD03452417
ZINC000013130886
ZINC000013130888

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Available files

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