Vitas-M small molecule compound

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

Catalog ID
STK783729
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1OC)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 C23H24N2O6 MW 424.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O6/c1-6-30-23(26)18-14(2)31-22(25-11-7-8-12-25)16(13-24)19(18)15-9-10-17(27-3)21(29-5)20(15)28-4/h7-12,19H,6H2,1-5H3
InChIKey
HWIRUQWVUMSTGR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(OC(=C(C1C2=C(C(=C(C=C2)OC)OC)OC)C#N)N3C=CC=C3)C
ethyl5cyano2methyl6(1Hpyrrol1yl)4(234trimethoxyphenyl)4Hpyran3carboxylate
ETHYL5CYANO2METHYL6PYRROL1YL4(234TRIMETHOXYPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC23H24N2O6c163023(26)1814(2)3122(2511781225)16(1324)19(18)1591017(273)21(295)20(15)284h71219H6H215H3
MFCD06618880
ZINC000012412737
ZINC000012412739

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Available files

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