Vitas-M small molecule compound

2-amino-1-(3-methylphenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK755528
SMILES N#CC1=C(N)N(c2cccc(c2)C)C2=C(C1c1cccnc1)C(=O)CCC2

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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 C22H20N4O MW 356.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O/c1-14-5-2-7-16(11-14)26-18-8-3-9-19(27)21(18)20(17(12-23)22(26)24)15-6-4-10-25-13-15/h2,4-7,10-11,13,20H,3,8-9,24H2,1H3
InChIKey
CYVZXTSKMMEVMT-UHFFFAOYSA-N
Synonyms
339336-45-7
2amino1(3methylphenyl)5oxo4(pyridin3yl)145678hexahydroquinoline3carbonitrile
2amino1(3methylphenyl)5oxo4pyridin3yl4678tetrahydroquinoline3carbonitrile
339336457
CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CN=CC=C4)C(=O)CCC3
InChI=1SC22H20N4Oc11452716(1114)261883919(27)21(18)20(17(1223)22(26)24)156410251315h24710111320H38924H21H3
MFCD00828352
ZINC000000705450
ZINC000000705451

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Available files

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