Vitas-M small molecule compound
2-amino-1-(4-bromo-2-fluorophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK761054
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2)c1ccc(cc1F)Br
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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 C22H16BrFN4O3 MW 483.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrFN4O3/c23-13-6-9-17(16(24)10-13)27-18-2-1-3-19(29)21(18)20(15(11-25)22(27)26)12-4-7-14(8-5-12)28(30)31/h4-10,20H,1-3,26H2InChIKey
XRVAHIWYZQFZIY-UHFFFAOYSA-NSynonyms
2amino1(4bromo2fluorophenyl)4(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4bromo2fluorophenyl)4(4nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1
InChI=1SC22H16BrFN4O3c23136917(16(24)1013)271821319(29)21(18)20(15(1125)22(27)26)124714(8512)28(30)31h41020H1326H2
MFCD01820473
N#CC1=C(N)N(C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2)c1ccc(cc1F)Br
ZINC000001064828
ZINC000001064829
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