Vitas-M small molecule compound

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

Catalog ID
STK232053
SMILES CCOc1ccc(cc1)C1C2=C(CCCC2=O)Nc2n1ncn2

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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 C17H18N4O2 MW 310.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O2/c1-2-23-12-8-6-11(7-9-12)16-15-13(4-3-5-14(15)22)20-17-18-10-19-21(16)17/h6-10,16H,2-5H2,1H3,(H,18,19,20)
InChIKey
OCZGEMWCPFMTFC-UHFFFAOYSA-N
Synonyms
803743-77-3
803743773
9(4ethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4ethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
CCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)N=C4N2NC=N4
InChI=1SC17H18N4O2c1223128611(7912)161513(43514(15)22)201718101921(16)17h61016H25H21H3(H181920)
MFCD04976442
ZINC000004736962
ZINC000004736963

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Available files

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