Vitas-M small molecule compound

2-amino-4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK755557
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1)F)C#N

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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 C24H22FN3O2 MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22FN3O2/c1-2-30-18-12-6-15(7-13-18)22-19(14-26)24(27)28(17-10-8-16(25)9-11-17)20-4-3-5-21(29)23(20)22/h6-13,22H,2-5,27H2,1H3
InChIKey
IFZVSWYBZDYSDV-UHFFFAOYSA-N
Synonyms

2amino4(4ethoxyphenyl)1(4fluorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4ethoxyphenyl)1(4fluorophenyl)5oxo4678tetrahydroquinoline3carbonitrile
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F)N)C#N
InChI=1SC24H22FN3O2c12301812615(71318)2219(1426)24(27)28(1710816(25)91117)2043521(29)23(20)22h61322H2527H21H3
MFCD00828410
ZINC000000713926
ZINC000000713928

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Available files

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