Vitas-M small molecule compound
methyl 6-amino-5-cyano-2-(methoxymethyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Catalog ID
STK755343
SMILES COCC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccccc1C(F)(F)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 C17H15F3N2O4 MW 368.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F3N2O4/c1-24-8-12-14(16(23)25-2)13(10(7-21)15(22)26-12)9-5-3-4-6-11(9)17(18,19)20/h3-6,13H,8,22H2,1-2H3InChIKey
HNZXSPXHHMADRV-UHFFFAOYSA-NSynonyms
COCC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2C(F)(F)F)C(=O)OC
InChI=1SC17H15F3N2O4c12481214(16(23)252)13(10(721)15(22)2612)9534611(9)17(1819)20h3613H822H212H3
methyl6amino5cyano2(methoxymethyl)4(2(trifluoromethyl)phenyl)4Hpyran3carboxylate
MFCD00827853
ZINC000004189177
ZINC000004189178
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