Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Catalog ID
STK783468
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc2c(c1)OCO2)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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-3-25-21(24)18-13(2)28-20(23-8-4-5-9-23)15(11-22)19(18)14-6-7-16-17(10-14)27-12-26-16/h4-10,19H,3,12H2,1-2H3InChIKey
DDRWAQFTYSCTIT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2)OCO3)C#N)N4C=CC=C4)C
ethyl4(13benzodioxol5yl)5cyano2methyl6(1Hpyrrol1yl)4Hpyran3carboxylate
ETHYL4(13BENZODIOXOL5YL)5CYANO2METHYL6PYRROL1YL4HPYRAN3CARBOXYLATE
InChI=1SC21H18N2O5c132521(24)1813(2)2820(23845923)15(1122)19(18)14671617(1014)27122616h41019H312H212H3
MFCD06618286
ZINC000004751307
ZINC000004751308
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