Vitas-M small molecule compound

prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate

Catalog ID
STK758918
SMILES C=CCOC(=O)C1=C(C)OC(=C(C1c1cc(OC)c(c(c1)OC)OC)C#N)N

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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 C20H22N2O6 MW 386.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6/c1-6-7-27-20(23)16-11(2)28-19(22)13(10-21)17(16)12-8-14(24-3)18(26-5)15(9-12)25-4/h6,8-9,17H,1,7,22H2,2-5H3
InChIKey
IQSBRVQEPKLVGY-UHFFFAOYSA-N
Synonyms

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC=C
InChI=1SC20H22N2O6c1672720(23)1611(2)2819(22)13(1021)17(16)12814(243)18(265)15(912)254h68917H1722H225H3
MFCD01460402
prop2en1yl6amino5cyano2methyl4(345trimethoxyphenyl)4Hpyran3carboxylate
PROP2ENYL6AMINO5CYANO2METHYL4(345TRIMETHOXYPHENYL)4HPYRAN3CARBOXYLATE
ZINC000003667182
ZINC000003667183

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Available files

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