Vitas-M small molecule compound

2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroquinoxaline 1,4-dioxide

Catalog ID
STK845060
SMILES CCOc1ccc(cc1)c1c(C)[n+]([O-])c2c([n+]1[O-])CCCC2

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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 C17H20N2O3 MW 300.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O3/c1-3-22-14-10-8-13(9-11-14)17-12(2)18(20)15-6-4-5-7-16(15)19(17)21/h8-11H,3-7H2,1-2H3
InChIKey
GRYFLCQFLGUCAT-UHFFFAOYSA-N
Synonyms
433251-66-2
2(4ethoxyphenyl)3methyl4oxido5678tetrahydroquinoxalin1ium1oxide
2(4ethoxyphenyl)3methyl5678tetrahydroquinoxaline14dioxide
433251662
CCOC1=CC=C(C=C1)C2=C(N(C3=C((N+)2=O)CCCC3)(O))C
CCOc1ccc(cc1)c1c(C)(n+)((O))c2c((n+)1(O))CCCC2
InChI=1SC17H20N2O3c13221410813(91114)1712(2)18(20)15645716(15)19(17)21h811H37H212H3
MFCD03145607
ZINC000103706057
ZINC02374159
ZINC2374159

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Available files

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