Vitas-M small molecule compound
2-amino-1-(4-chloro-3-nitrophenyl)-4-(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174432
SMILES N#CC1=C(N)N(c2ccc(c(c2)[N+](=O)[O-])Cl)C2=C(C1c1ccccc1Cl)C(=O)CC(C2)c1ccccc1
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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 C28H20Cl2N4O3 MW 531.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20Cl2N4O3/c29-21-9-5-4-8-19(21)26-20(15-31)28(32)33(18-10-11-22(30)23(14-18)34(36)37)24-12-17(13-25(35)27(24)26)16-6-2-1-3-7-16/h1-11,14,17,26H,12-13,32H2InChIKey
LWQAATACPLPDAG-UHFFFAOYSA-NSynonyms
444933-82-82amino1(4chloro3nitrophenyl)4(2chlorophenyl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino1(4chloro3nitrophenyl)4(2chlorophenyl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
444933828
C1C(CC(=O)C2=C1N(C(=C(C2C3=CC=CC=C3Cl)C#N)N)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC28H20Cl2N4O3c2921954819(21)2620(1531)28(32)33(18101122(30)23(1418)34(36)37)241217(1325(35)27(24)26)166213716h111141726H121332H2
MFCD02606955
N#CC1=C(N)N(c2ccc(c(c2)(N+)(=O)(O))Cl)C2=C(C1c1ccccc1Cl)C(=O)CC(C2)c1ccccc1
ZINC000002090766
ZINC000002090777
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