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2-amino-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STL174364
SMILES N#CC1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc(c(c1)COc1ccc(c(c1)C)[N+](=O)[O-])OC)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 C34H31F3N4O5 MW 632.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31F3N4O5/c1-19-12-24(9-10-26(19)41(43)44)46-18-21-13-20(8-11-29(21)45-4)30-25(17-38)32(39)40(23-7-5-6-22(14-23)34(35,36)37)27-15-33(2,3)16-28(42)31(27)30/h5-14,30H,15-16,18,39H2,1-4H3
InChIKey
UEMCZGQCOVVIJS-UHFFFAOYSA-N
Synonyms
444926-98-1
2amino4(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)77dimethyl5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2AMINO4(4METHOXY3((3METHYL4NITROPHENOXY)METHYL)PHENYL)77DIMETHYL5OXO1(3(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
444926981
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=CC=CC(=C5)C(F)(F)F)N)C#N)OC)(N+)(=O)(O)
InChI=1SC34H31F3N4O5c1191224(91026(19)41(43)44)4618211320(81129(21)454)3025(1738)32(39)40(2375622(1423)34(3536)37)271533(23)1628(42)31(27)30h51430H15161839H214H3
MFCD02606379
N#CC1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc(c(c1)COc1ccc(c(c1)C)(N+)(=O)(O))OC)C(=O)CC(C2)(C)C
ZINC000008456029
ZINC000008456030

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Available files

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