Vitas-M small molecule compound

9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK333537
SMILES COc1cccc(c1OC)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 C16H17N5O3 MW 327.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O3/c1-23-12-8-3-5-9(15(12)24-2)14-13-10(6-4-7-11(13)22)17-16-18-19-20-21(14)16/h3,5,8,14H,4,6-7H2,1-2H3,(H,17,18,20)
InChIKey
ZZGNURWZIHSPGL-UHFFFAOYSA-N
Synonyms
681471-72-7
681471727
9(23dimethoxyphenyl)5679tetrahydro1Htetrazolo(51b)quinazolin8one
9(23dimethoxyphenyl)5679tetrahydrotetrazolo(51b)quinazolin8(4H)one
COC1=CC=CC(=C1OC)C2C3=C(CCCC3=O)N=C4N2NN=N4
InChI=1SC16H17N5O3c123128359(15(12)242)141310(64711(13)22)171618192021(14)16h35814H467H212H3(H171820)
MFCD09397473
ZINC000014230754
ZINC000014230757

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Available files

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