Vitas-M small molecule compound

methyl cyano[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]acetate

Catalog ID
STK546459
SMILES N#CC(c1nc2ccccc2nc1N1CCCC(C1)C)C(=O)OC

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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 C18H20N4O2 MW 324.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2/c1-12-6-5-9-22(11-12)17-16(13(10-19)18(23)24-2)20-14-7-3-4-8-15(14)21-17/h3-4,7-8,12-13H,5-6,9,11H2,1-2H3
InChIKey
AIMQYEDWNJBUHT-UHFFFAOYSA-N
Synonyms
488860-49-7
488860497
CC1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC
InChI=1SC18H20N4O2c11265922(1112)1716(13(1019)18(23)242)2014734815(14)2117h34781213H56911H212H3
methyl2cyano2(3((S)3methylpiperidin1yl)quinoxalin2yl)acetate
METHYL2CYANO2(3(3METHYLPIPERIDIN1YL)QUINOXALIN2YL)ACETATE
methylcyano(3(3methylpiperidin1yl)quinoxalin2yl)acetate
MFCD03295253
ZINC000002219555
ZINC000036408833

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Available files

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