Vitas-M small molecule compound
ethyl 5-{3-[(4-fluorobenzyl)amino]-1-(3-hydroxy-4-methoxyphenyl)-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate
Catalog ID
STL435165
SMILES CCOC(=O)c1c[nH]c(=O)c(c1O)C(c1ccc(c(c1)O)OC)CC(=O)NCc1ccc(cc1)F
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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 C25H25FN2O7 MW 484.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN2O7/c1-3-35-25(33)18-13-28-24(32)22(23(18)31)17(15-6-9-20(34-2)19(29)10-15)11-21(30)27-12-14-4-7-16(26)8-5-14/h4-10,13,17,29H,3,11-12H2,1-2H3,(H,27,30)(H2,28,31,32)InChIKey
FTJYKOFNUSODGG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CNC(=O)C(=C1O)C(CC(=O)NCC2=CC=C(C=C2)F)C3=CC(=C(C=C3)OC)O
CCOC(=O)c1c(nH)c(=O)c(c1O)C(c1ccc(c(c1)O)OC)CC(=O)NCc1ccc(cc1)F
ethyl5(3((4fluorobenzyl)amino)1(3hydroxy4methoxyphenyl)3oxopropyl)4hydroxy6oxo16dihydropyridine3carboxylate
ethyl5(3((4fluorophenyl)methylamino)1(3hydroxy4methoxyphenyl)3oxopropyl)4hydroxy6oxo1Hpyridine3carboxylate
InChI=1SC25H25FN2O7c133525(33)18132824(32)22(23(18)31)17(156920(342)19(29)1015)1121(30)2712144716(26)8514h410131729H31112H212H3(H2730)(H2283132)
MFCD30711701
ZINC000253496475
ZINC000253496476
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