Vitas-M small molecule compound
2-amino-4-(4-bromophenyl)-1-(4-fluoro-3-nitrophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK761319
SMILES N#CC1=C(N)N(c2ccc(c(c2)[N+](=O)[O-])F)C2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C
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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 C24H20BrFN4O3 MW 511.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrFN4O3/c1-24(2)10-19-22(20(31)11-24)21(13-3-5-14(25)6-4-13)16(12-27)23(28)29(19)15-7-8-17(26)18(9-15)30(32)33/h3-9,21H,10-11,28H2,1-2H3InChIKey
RJWNQRHPYLJNFF-UHFFFAOYSA-NSynonyms
2amino4(4bromophenyl)1(4fluoro3nitrophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4BROMOPHENYL)1(4FLUORO3NITROPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=C(C=C3)F)(N+)(=O)(O))N)C#N)C4=CC=C(C=C4)Br)C(=O)C1)C
InChI=1SC24H20BrFN4O3c124(2)101922(20(31)1124)21(133514(25)6413)16(1227)23(28)29(19)157817(26)18(915)30(32)33h3921H101128H212H3
MFCD02110120
N#CC1=C(N)N(c2ccc(c(c2)(N+)(=O)(O))F)C2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C
ZINC000001065102
ZINC000001065104
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