Vitas-M small molecule compound
2-amino-4-(4-ethoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757567
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)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 C25H22F3N3O2 MW 453.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22F3N3O2/c1-2-33-18-11-9-15(10-12-18)22-19(14-29)24(30)31(20-7-4-8-21(32)23(20)22)17-6-3-5-16(13-17)25(26,27)28/h3,5-6,9-13,22H,2,4,7-8,30H2,1H3InChIKey
SPWWBGCTNCKKFY-UHFFFAOYSA-NSynonyms
312275-80-22amino4(4ethoxyphenyl)5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(4ethoxyphenyl)5oxo1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
312275802
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC(=C4)C(F)(F)F)N)C#N
InChI=1SC25H22F3N3O2c12331811915(101218)2219(1429)24(30)31(2074821(32)23(20)22)1763516(1317)25(2627)28h35691322H247830H21H3
MFCD01306146
ZINC000001445616
ZINC000001445617
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