Vitas-M small molecule compound
ethyl 6-amino-4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STL176525
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1cc(Br)ccc1OCc1cccc(c1)F)C#N)N
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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 C23H20BrFN2O4 MW 487.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrFN2O4/c1-3-29-23(28)20-13(2)31-22(27)18(11-26)21(20)17-10-15(24)7-8-19(17)30-12-14-5-4-6-16(25)9-14/h4-10,21H,3,12,27H2,1-2H3InChIKey
ODXGSBLTEDUTTH-UHFFFAOYSA-NSynonyms
695174-86-8695174868
CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)Br)OCC3=CC(=CC=C3)F)C#N)N)C
ethyl6amino4(5bromo2((3fluorobenzyl)oxy)phenyl)5cyano2methyl4Hpyran3carboxylate
ETHYL6AMINO4(5BROMO2((3FLUOROPHENYL)METHOXY)PHENYL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC23H20BrFN2O4c132923(28)2013(2)3122(27)18(1126)21(20)171015(24)7819(17)30121454616(25)914h41021H31227H212H3
MFCD03883603
ZINC000001108946
ZINC000001108947
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