Vitas-M small molecule compound
ethyl 6-amino-5-cyano-4-{2-[(3-fluorobenzyl)oxy]phenyl}-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STL416758
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccccc1OCc1cccc(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 C23H21FN2O4 MW 408.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN2O4/c1-3-28-23(27)20-14(2)30-22(26)18(12-25)21(20)17-9-4-5-10-19(17)29-13-15-7-6-8-16(24)11-15/h4-11,21H,3,13,26H2,1-2H3InChIKey
YEEBHWLDWXIRSD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2OCC3=CC(=CC=C3)F)C#N)N)C
ethyl6amino5cyano4(2((3fluorobenzyl)oxy)phenyl)2methyl4Hpyran3carboxylate
ETHYL6AMINO5CYANO4(2((3FLUOROPHENYL)METHOXY)PHENYL)2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC23H21FN2O4c132823(27)2014(2)3022(26)18(1225)21(20)179451019(17)29131576816(24)1115h41121H31326H212H3
MFCD04091420
ZINC000000639270
ZINC000000639273
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