Vitas-M small molecule compound
2-amino-1-(3-nitrophenyl)-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK959150
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc(cc1)C(F)(F)F)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 C23H17F3N4O3 MW 454.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17F3N4O3/c24-23(25,26)14-9-7-13(8-10-14)20-17(12-27)22(28)29(18-5-2-6-19(31)21(18)20)15-3-1-4-16(11-15)30(32)33/h1,3-4,7-11,20H,2,5-6,28H2InChIKey
MWDKFUQVEUHGPF-UHFFFAOYSA-NSynonyms
2amino1(3nitrophenyl)5oxo4(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino1(3nitrophenyl)5oxo4(4(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC=C(C=C4)C(F)(F)F)C(=O)C1
InChI=1SC23H17F3N4O3c2423(2526)149713(81014)2017(1227)22(28)29(1852619(31)21(18)20)1531416(1115)30(32)33h13471120H25628H2
MFCD02174792
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CCC2
ZINC000000674687
ZINC000000674689
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