Vitas-M small molecule compound
methyl 6-amino-4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STL176526
SMILES COC(=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 C22H18BrFN2O4 MW 473.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrFN2O4/c1-12-19(22(27)28-2)20(17(10-25)21(26)30-12)16-9-14(23)6-7-18(16)29-11-13-4-3-5-15(24)8-13/h3-9,20H,11,26H2,1-2H3InChIKey
KISCCUGARRQLCY-UHFFFAOYSA-NSynonyms
745039-54-7745039547
CC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)Br)OCC3=CC(=CC=C3)F)C(=O)OC
InChI=1SC22H18BrFN2O4c11219(22(27)282)20(17(1025)21(26)3012)16914(23)6718(16)29111343515(24)813h3920H1126H212H3
methyl6amino4(5bromo2((3fluorobenzyl)oxy)phenyl)5cyano2methyl4Hpyran3carboxylate
METHYL6AMINO4(5BROMO2((3FLUOROPHENYL)METHOXY)PHENYL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
MFCD03883604
ZINC000002758604
ZINC000002758605
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