Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174535
SMILES N#CC1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc(c(c1)COc1ccc(cc1[N+](=O)[O-])C)OC)C(=O)CCC2
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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 C32H27F3N4O5 MW 604.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27F3N4O5/c1-18-9-11-28(25(13-18)39(41)42)44-17-20-14-19(10-12-27(20)43-2)29-23(16-36)31(37)38(24-7-4-8-26(40)30(24)29)22-6-3-5-21(15-22)32(33,34)35/h3,5-6,9-15,29H,4,7-8,17,37H2,1-2H3InChIKey
JGJWTBQUMOLBKK-UHFFFAOYSA-NSynonyms
444931-35-52amino4(4methoxy3((4methyl2nitrophenoxy)methyl)phenyl)5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(4methoxy3((4methyl2nitrophenoxy)methyl)phenyl)5oxo1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
444931355
CC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC=CC(=C5)C(F)(F)F)N)C#N)OC)(N+)(=O)(O)
InChI=1SC32H27F3N4O5c11891128(25(1318)39(41)42)4417201419(101227(20)432)2923(1636)31(37)38(2474826(40)30(24)29)2263521(1522)32(3334)35h35691529H4781737H212H3
MFCD02606678
N#CC1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc(c(c1)COc1ccc(cc1(N+)(=O)(O))C)OC)C(=O)CCC2
ZINC000008456103
ZINC000008456104
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.