Vitas-M small molecule compound

ethyl 5-[3-{[2-(4-fluorophenyl)ethyl]amino}-1-(3-hydroxy-4-methoxyphenyl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate

Catalog ID
STL435200
SMILES CCOC(=O)c1c[nH]c(=O)c(c1O)C(c1ccc(c(c1)O)OC)CC(=O)NCCc1ccc(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 C26H27FN2O7 MW 498.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27FN2O7/c1-3-36-26(34)19-14-29-25(33)23(24(19)32)18(16-6-9-21(35-2)20(30)12-16)13-22(31)28-11-10-15-4-7-17(27)8-5-15/h4-9,12,14,18,30H,3,10-11,13H2,1-2H3,(H,28,31)(H2,29,32,33)
InChIKey
BTMXLKJDIGYNRW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CNC(=O)C(=C1O)C(CC(=O)NCCC2=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)NCCc1ccc(cc1)F
ethyl5(3((2(4fluorophenyl)ethyl)amino)1(3hydroxy4methoxyphenyl)3oxopropyl)4hydroxy6oxo16dihydropyridine3carboxylate
ethyl5(3(2(4fluorophenyl)ethylamino)1(3hydroxy4methoxyphenyl)3oxopropyl)4hydroxy6oxo1Hpyridine3carboxylate
InChI=1SC26H27FN2O7c133626(34)19142925(33)23(24(19)32)18(166921(352)20(30)1216)1322(31)281110154717(27)8515h4912141830H3101113H212H3(H2831)(H2293233)
MFCD30711736
ZINC000253496446
ZINC000253496447

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Available files

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