Vitas-M small molecule compound
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755763
SMILES N#CC1=C(N)N(c2cc(ccc2Cl)C(F)(F)F)C2=C(C1c1ccccc1)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 C23H17ClF3N3O MW 443.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClF3N3O/c24-16-10-9-14(23(25,26)27)11-18(16)30-17-7-4-8-19(31)21(17)20(15(12-28)22(30)29)13-5-2-1-3-6-13/h1-3,5-6,9-11,20H,4,7-8,29H2InChIKey
HZROCXBZMPPRIW-UHFFFAOYSA-NSynonyms
2amino1(2chloro5(trifluoromethyl)phenyl)5oxo4phenyl145678hexahydroquinoline3carbonitrile
2amino1(2chloro5(trifluoromethyl)phenyl)5oxo4phenyl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CC=CC=C4)C(=O)C1
InChI=1SC23H17ClF3N3Oc241610914(23(2526)27)1118(16)301774819(31)21(17)20(15(1228)22(30)29)135213613h135691120H47829H2
MFCD01113613
ZINC000000713485
ZINC000000713487
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