Vitas-M small molecule compound
2-amino-4-(2,3-dichlorophenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK960359
SMILES N#CC1=C(N)N(c2ccc(cc2)[N+](=O)[O-])C2=C(C1c1cccc(c1Cl)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 C22H16Cl2N4O3 MW 455.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl2N4O3/c23-16-4-1-3-14(21(16)24)19-15(11-25)22(26)27(17-5-2-6-18(29)20(17)19)12-7-9-13(10-8-12)28(30)31/h1,3-4,7-10,19H,2,5-6,26H2InChIKey
MMDNZVYTAFEAFT-UHFFFAOYSA-NSynonyms
445021-91-02amino4(23dichlorophenyl)1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(23dichlorophenyl)1(4nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
445021910
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))N)C#N)C4=C(C(=CC=C4)Cl)Cl)C(=O)C1
InChI=1SC22H16Cl2N4O3c231641314(21(16)24)1915(1125)22(26)27(1752618(29)20(17)19)127913(10812)28(30)31h13471019H25626H2
MFCD03073277
N#CC1=C(N)N(c2ccc(cc2)(N+)(=O)(O))C2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2
ZINC000008450625
ZINC000008450627
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