Vitas-M small molecule compound
2-amino-1-(2-fluorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK761762
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1ccccc1F
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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 C24H21FN4O3 MW 432.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21FN4O3/c1-24(2)11-19-22(20(30)12-24)21(14-6-5-7-15(10-14)29(31)32)16(13-26)23(27)28(19)18-9-4-3-8-17(18)25/h3-10,21H,11-12,27H2,1-2H3InChIKey
VIKKMHKPUMWBEC-UHFFFAOYSA-NSynonyms
2amino1(2fluorophenyl)77dimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(2FLUOROPHENYL)77DIMETHYL4(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3F)N)C#N)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC24H21FN4O3c124(2)111922(20(30)1224)21(1465715(1014)29(31)32)16(1326)23(27)28(19)18943817(18)25h31021H111227H212H3
MFCD01871032
N#CC1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccccc1F
ZINC000001065512
ZINC000001065514
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