Vitas-M small molecule compound

2-amino-4-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-1-(3,4-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK315814
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)COc1ccc(c(c1)C)Cl)OC)C(=O)CCC2)c1ccc(c(c1)Cl)Cl

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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 C31H26Cl3N3O3 MW 594.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26Cl3N3O3/c1-17-12-21(8-10-23(17)32)40-16-19-13-18(6-11-28(19)39-2)29-22(15-35)31(36)37(20-7-9-24(33)25(34)14-20)26-4-3-5-27(38)30(26)29/h6-14,29H,3-5,16,36H2,1-2H3
InChIKey
GWIYZDCWGWOJMG-UHFFFAOYSA-N
Synonyms
514799-79-2
2amino4(3((4chloro3methylphenoxy)methyl)4methoxyphenyl)1(34dichlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(3((4chloro3methylphenoxy)methyl)4methoxyphenyl)1(34dichlorophenyl)5oxo4678tetrahydroquinoline3carbonitrile
514799792
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC(=C(C=C5)Cl)Cl)N)C#N)OC)Cl
InChI=1SC31H26Cl3N3O3c1171221(81023(17)32)4016191318(61128(19)392)2922(1535)31(36)37(207924(33)25(34)1420)2643527(38)30(26)29h61429H351636H212H3
MFCD03757348
ZINC000002114860
ZINC000002114863

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Available files

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