Vitas-M small molecule compound
2-amino-4-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174372
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)Cl)C(=O)CC(C2)c1ccccc1)c1cc(ccc1C)[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 C29H23ClN4O3 MW 510.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN4O3/c1-17-10-11-22(34(36)37)15-24(17)33-25-13-20(18-6-3-2-4-7-18)14-26(35)28(25)27(23(16-31)29(33)32)19-8-5-9-21(30)12-19/h2-12,15,20,27H,13-14,32H2,1H3InChIKey
HOAKQWJHPHMEJG-UHFFFAOYSA-NSynonyms
444933-65-72amino4(3chlorophenyl)1(2methyl5nitrophenyl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino4(3chlorophenyl)1(2methyl5nitrophenyl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
444933657
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C3=C(C(C(=C2N)C#N)C4=CC(=CC=C4)Cl)C(=O)CC(C3)C5=CC=CC=C5
InChI=1SC29H23ClN4O3c117101122(34(36)37)1524(17)33251320(186324718)1426(35)28(25)27(23(1631)29(33)32)1985921(30)1219h212152027H131432H21H3
MFCD02606936
N#CC1=C(N)N(C2=C(C1c1cccc(c1)Cl)C(=O)CC(C2)c1ccccc1)c1cc(ccc1C)(N+)(=O)(O)
ZINC000002090730
ZINC000002090737
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