Vitas-M small molecule compound
4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL174362
SMILES COc1ccc(cc1COc1c(F)c(F)c(c(c1F)F)F)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)Nc1ccccn1
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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 C36H28F5N3O4 MW 661.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28F5N3O4/c1-18-27(36(46)44-26-10-6-7-13-42-26)28(29-23(43-18)15-21(16-24(29)45)19-8-4-3-5-9-19)20-11-12-25(47-2)22(14-20)17-48-35-33(40)31(38)30(37)32(39)34(35)41/h3-14,21,28,43H,15-17H2,1-2H3,(H,42,44,46)InChIKey
WTGIIJJQAMZKGT-UHFFFAOYSA-NSynonyms
444932-74-54(4methoxy3((23456pentafluorophenoxy)methyl)phenyl)2methyl5oxo7phenylNpyridin2yl4678tetrahydro1Hquinoline3carboxamide
4(4methoxy3((pentafluorophenoxy)methyl)phenyl)2methyl5oxo7phenylN(pyridin2yl)145678hexahydroquinoline3carboxamide
444932745
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)COC5=C(C(=C(C(=C5F)F)F)F)F)C(=O)NC6=CC=CC=N6
InChI=1SC36H28F5N3O4c11827(36(46)44261067134226)28(2923(4318)1521(1624(29)45)198435919)20111225(472)22(1420)17483533(40)31(38)30(37)32(39)34(35)41h314212843H1517H212H3(H424446)
MFCD02606811
ZINC000008450324
ZINC000097959841
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