Vitas-M small molecule compound
methyl 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate
Catalog ID
STK755340
SMILES COCC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccc(c(c1)Br)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 C16H14BrFN2O4 MW 397.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrFN2O4/c1-22-7-12-14(16(21)23-2)13(9(6-19)15(20)24-12)8-3-4-11(18)10(17)5-8/h3-5,13H,7,20H2,1-2H3InChIKey
IRRFESUOZZVVCD-UHFFFAOYSA-NSynonyms
COCC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)F)Br)C(=O)OC
InChI=1SC16H14BrFN2O4c12271214(16(21)232)13(9(619)15(20)2412)83411(18)10(17)58h3513H720H212H3
methyl6amino4(3bromo4fluorophenyl)5cyano2(methoxymethyl)4Hpyran3carboxylate
MFCD00827849
ZINC000004189169
ZINC000004189170
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