Vitas-M small molecule compound

ethyl 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate

Catalog ID
STK832641
SMILES CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(cc1OC)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 C21H24N2O7 MW 416.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O7/c1-5-28-17(24)10-16-19(21(25)29-6-2)18(14(11-22)20(23)30-16)13-8-7-12(26-3)9-15(13)27-4/h7-9,18H,5-6,10,23H2,1-4H3
InChIKey
WDTJEMBCCFOELH-UHFFFAOYSA-N
Synonyms
300834-76-8
300834768
CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=C(C=C(C=C2)OC)OC)C(=O)OCC
ETHYL2(6AMINO4(24DIMETHOXYPHENYL)5CYANO3(ETHOXYCARBONYL)4HPYRAN2YL)ACETATE
ethyl6amino5cyano4(24dimethoxyphenyl)2(2ethoxy2oxoethyl)4Hpyran3carboxylate
InChI=1SC21H24N2O7c152817(24)101619(21(25)2962)18(14(1122)20(23)3016)138712(263)915(13)274h7918H561023H214H3
MFCD01471374
ZINC000001207179
ZINC000001207180

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Available files

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