Vitas-M small molecule compound
2-amino-4-(4-chlorophenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754552
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc(cc1)Cl)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 C22H17ClN4O3 MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O3/c23-14-9-7-13(8-10-14)20-17(12-24)22(25)26(18-5-2-6-19(28)21(18)20)15-3-1-4-16(11-15)27(29)30/h1,3-4,7-11,20H,2,5-6,25H2InChIKey
COMKBWWFRCFRIJ-UHFFFAOYSA-NSynonyms
311318-18-02amino4(4chlorophenyl)1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4chlorophenyl)1(3nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311318180
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC=C(C=C4)Cl)C(=O)C1
InChI=1SC22H17ClN4O3c23149713(81014)2017(1224)22(25)26(1852619(28)21(18)20)1531416(1115)27(29)30h13471120H25625H2
MFCD00826095
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc(cc1)Cl)C(=O)CCC2
ZINC000001022588
ZINC000001022589
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