Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754904
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1ccccc1C(F)(F)F
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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 C25H21F3N4O3 MW 482.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21F3N4O3/c1-24(2)11-19-22(20(33)12-24)21(14-6-5-7-15(10-14)32(34)35)16(13-29)23(30)31(19)18-9-4-3-8-17(18)25(26,27)28/h3-10,21H,11-12,30H2,1-2H3InChIKey
OODXKNLPSINJQN-UHFFFAOYSA-NSynonyms
2amino77dimethyl4(3nitrophenyl)5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL4(3NITROPHENYL)5OXO1(2(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC25H21F3N4O3c124(2)111922(20(33)1224)21(1465715(1014)32(34)35)16(1329)23(30)31(19)18943817(18)25(2627)28h31021H111230H212H3
MFCD00826922
N#CC1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccccc1C(F)(F)F
ZINC000000713529
ZINC000000713530
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