Vitas-M small molecule compound

4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Catalog ID
STL174255
SMILES COc1ccc(cc1COc1cc(F)ccc1[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CCC2)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 C30H27FN4O6 MW 558.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27FN4O6/c1-17-27(30(37)34-26-8-3-4-13-32-26)28(29-21(33-17)6-5-7-23(29)36)18-9-12-24(40-2)19(14-18)16-41-25-15-20(31)10-11-22(25)35(38)39/h3-4,8-15,28,33H,5-7,16H2,1-2H3,(H,32,34,37)
InChIKey
IVNGQQTZILYYOI-UHFFFAOYSA-N
Synonyms
444926-80-1
4(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)2methyl5oxoN(pyridin2yl)145678hexahydroquinoline3carboxamide
4(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)2methyl5oxoNpyridin2yl4678tetrahydro1Hquinoline3carboxamide
444926801
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)COC4=C(C=CC(=C4)F)(N+)(=O)(O))C(=O)NC5=CC=CC=N5
COc1ccc(cc1COc1cc(F)ccc1(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)Nc1ccccn1
InChI=1SC30H27FN4O6c11727(30(37)3426834133226)28(2921(3317)65723(29)36)1891224(402)19(1418)1641251520(31)101122(25)35(38)39h348152833H5716H212H3(H323437)
MFCD02606367
ZINC000000667461
ZINC000100670287

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Available files

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