Vitas-M small molecule compound
2-amino-1-(2-chloro-5-nitrophenyl)-4-(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174861
SMILES N#CC1=C(N)N(c2cc(ccc2Cl)[N+](=O)[O-])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(23-14-18(34(36)37)10-11-22(23)30)24-12-17(13-25(35)27(24)26)16-6-2-1-3-7-16/h1-11,14,17,26H,12-13,32H2InChIKey
ACDSZFZFNCBEDY-UHFFFAOYSA-NSynonyms
514854-49-02amino1(2chloro5nitrophenyl)4(2chlorophenyl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino1(2chloro5nitrophenyl)4(2chlorophenyl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
514854490
C1C(CC(=O)C2=C1N(C(=C(C2C3=CC=CC=C3Cl)C#N)N)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C5=CC=CC=C5
InChI=1SC28H20Cl2N4O3c2921954819(21)2620(1531)28(32)33(231418(34(36)37)101122(23)30)241217(1325(35)27(24)26)166213716h111141726H121332H2
MFCD03757819
N#CC1=C(N)N(c2cc(ccc2Cl)(N+)(=O)(O))C2=C(C1c1ccccc1Cl)C(=O)CC(C2)c1ccccc1
ZINC000002761624
ZINC000002761627
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