Vitas-M small molecule compound
2-amino-4-(3-methylphenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL173007
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)C)C(=O)CCC2)c1cccc(c1)[N+](=O)[O-]
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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 C23H20N4O3 MW 400.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3/c1-14-5-2-6-15(11-14)21-18(13-24)23(25)26(19-9-4-10-20(28)22(19)21)16-7-3-8-17(12-16)27(29)30/h2-3,5-8,11-12,21H,4,9-10,25H2,1H3InChIKey
QIHMWBAKSYEYKN-UHFFFAOYSA-NSynonyms
515151-76-52amino4(3methylphenyl)1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(3methylphenyl)1(3nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
515151765
CC1=CC=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)(N+)(=O)(O))N)C#N
InChI=1SC23H20N4O3c11452615(1114)2118(1324)23(25)26(19941020(28)22(19)21)1673817(1216)27(29)30h2358111221H491025H21H3
MFCD03758468
N#CC1=C(N)N(C2=C(C1c1cccc(c1)C)C(=O)CCC2)c1cccc(c1)(N+)(=O)(O)
ZINC000000695886
ZINC000000695887
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