Vitas-M small molecule compound
ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Catalog ID
STK783485
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)OC)OC)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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-5-28-22(25)19-14(2)29-21(24-10-6-7-11-24)16(13-23)20(19)15-8-9-17(26-3)18(12-15)27-4/h6-12,20H,5H2,1-4H3InChIKey
NWFKODWBDOZIHN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)OC)C#N)N3C=CC=C3)C
ethyl5cyano4(34dimethoxyphenyl)2methyl6(1Hpyrrol1yl)4Hpyran3carboxylate
ETHYL5CYANO4(34DIMETHOXYPHENYL)2METHYL6PYRROL1YL4HPYRAN3CARBOXYLATE
InChI=1SC22H22N2O5c152822(25)1914(2)2921(2410671124)16(1323)20(19)158917(263)18(1215)274h61220H5H214H3
MFCD06618309
ZINC000004751329
ZINC000004751330
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