Vitas-M small molecule compound
2-amino-4-(3-chlorophenyl)-1-(2,6-difluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK768754
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)Cl)C(=O)CCC2)c1c(F)cccc1F
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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 C22H16ClF2N3O MW 411.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClF2N3O/c23-13-5-1-4-12(10-13)19-14(11-26)22(27)28(17-8-3-9-18(29)20(17)19)21-15(24)6-2-7-16(21)25/h1-2,4-7,10,19H,3,8-9,27H2InChIKey
JFDWJZJNKCZXHS-UHFFFAOYSA-NSynonyms
2amino4(3chlorophenyl)1(26difluorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(3chlorophenyl)1(26difluorophenyl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=CC=C3F)F)N)C#N)C4=CC(=CC=C4)Cl)C(=O)C1
InChI=1SC22H16ClF2N3Oc231351412(1013)1914(1126)22(27)28(1783918(29)20(17)19)2115(24)62716(21)25h12471019H38927H2
MFCD03308180
ZINC000000720215
ZINC000000720217
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