Vitas-M small molecule compound
ethyl 5-cyano-4-{4-[(4-fluorobenzyl)oxy]phenyl}-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Catalog ID
STK784346
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)OCc1ccc(cc1)F)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 C27H23FN2O4 MW 458.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23FN2O4/c1-3-32-27(31)24-18(2)34-26(30-14-4-5-15-30)23(16-29)25(24)20-8-12-22(13-9-20)33-17-19-6-10-21(28)11-7-19/h4-15,25H,3,17H2,1-2H3InChIKey
PFXBRCYWEWRYQI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C#N)N4C=CC=C4)C
ethyl5cyano4(4((4fluorobenzyl)oxy)phenyl)2methyl6(1Hpyrrol1yl)4Hpyran3carboxylate
ETHYL5CYANO4(4((4FLUOROPHENYL)METHOXY)PHENYL)2METHYL6PYRROL1YL4HPYRAN3CARBOXYLATE
InChI=1SC27H23FN2O4c133227(31)2418(2)3426(3014451530)23(1629)25(24)2081222(13920)33171961021(28)11719h41525H317H212H3
MFCD07021917
ZINC000012412741
ZINC000012412743
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