Vitas-M small molecule compound

4-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}-2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Catalog ID
STK316604
SMILES COc1ccc(cc1COc1c(F)c(F)cc(c1F)F)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)Nc1ccc(cn1)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 C37H31F4N3O4 MW 657.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31F4N3O4/c1-19-9-12-30(42-17-19)44-37(46)31-20(2)43-27-14-23(21-7-5-4-6-8-21)15-28(45)33(27)32(31)22-10-11-29(47-3)24(13-22)18-48-36-34(40)25(38)16-26(39)35(36)41/h4-13,16-17,23,32,43H,14-15,18H2,1-3H3,(H,42,44,46)
InChIKey
ANIVRKKSNYWGCI-UHFFFAOYSA-N
Synonyms
444934-39-8
4(4methoxy3((2356tetrafluorophenoxy)methyl)phenyl)2methylN(5methylpyridin2yl)5oxo7phenyl145678hexahydroquinoline3carboxamide
4(4methoxy3((2356tetrafluorophenoxy)methyl)phenyl)2methylN(5methylpyridin2yl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxamide
444934398
CC1=CN=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=C(C=C4)OC)COC5=C(C(=CC(=C5F)F)F)F)C(=O)CC(C3)C6=CC=CC=C6)C
InChI=1SC37H31F4N3O4c11991230(421719)4437(46)3120(2)43271423(217546821)1528(45)33(27)32(31)22101129(473)24(1322)18483634(40)25(38)1626(39)35(36)41h4131617233243H141518H213H3(H424446)
MFCD02607012
ZINC000097959848
ZINC000097959851

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Available files

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