Vitas-M small molecule compound
ethyl 4-(5-bromo-2-fluorophenyl)-5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Catalog ID
STK783464
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1cc(Br)ccc1F)C#N)n1cccc1
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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 C20H16BrFN2O3 MW 431.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrFN2O3/c1-3-26-20(25)17-12(2)27-19(24-8-4-5-9-24)15(11-23)18(17)14-10-13(21)6-7-16(14)22/h4-10,18H,3H2,1-2H3InChIKey
VPCQSTZRKTVYPH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)Br)F)C#N)N3C=CC=C3)C
ethyl4(5bromo2fluorophenyl)5cyano2methyl6(1Hpyrrol1yl)4Hpyran3carboxylate
ETHYL4(5BROMO2FLUOROPHENYL)5CYANO2METHYL6PYRROL1YL4HPYRAN3CARBOXYLATE
InChI=1SC20H16BrFN2O3c132620(25)1712(2)2719(24845924)15(1123)18(17)141013(21)6716(14)22h41018H3H212H3
MFCD06618282
ZINC000012412714
ZINC000012412716
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