Vitas-M small molecule compound

ethyl 5-cyano-2-methyl-4-(3-methylphenyl)-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate

Catalog ID
STK783465
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1cccc(c1)C)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 C21H20N2O3 MW 348.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3/c1-4-25-21(24)18-15(3)26-20(23-10-5-6-11-23)17(13-22)19(18)16-9-7-8-14(2)12-16/h5-12,19H,4H2,1-3H3
InChIKey
NBJZBERBQXPYDA-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)C)C#N)N3C=CC=C3)C
ethyl5cyano2methyl4(3methylphenyl)6(1Hpyrrol1yl)4Hpyran3carboxylate
ETHYL5CYANO2METHYL4(3METHYLPHENYL)6PYRROL1YL4HPYRAN3CARBOXYLATE
InChI=1SC21H20N2O3c142521(24)1815(3)2620(2310561123)17(1322)19(18)1697814(2)1216h51219H4H213H3
MFCD06618283
ZINC000004751303
ZINC000004751304

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.