Vitas-M small molecule compound

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

Catalog ID
STK074296
SMILES CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(c(c1)OC)O)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 C20H22N2O7 MW 402.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O7/c1-4-27-16(24)9-15-18(20(25)28-5-2)17(12(10-21)19(22)29-15)11-6-7-13(23)14(8-11)26-3/h6-8,17,23H,4-5,9,22H2,1-3H3
InChIKey
JUMHHOKPYOZFLD-UHFFFAOYSA-N
Synonyms
364737-41-7
364737417
CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(c(c1)OC)O)C#N)N
CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)O)OC)C(=O)OCC
ETHYL6AMINO5CYANO2(2ETHOXY2OXOETHYL)4(4HYDROXY3METHOXYPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC20H22N2O7c142716(24)91518(20(25)2852)17(12(1021)19(22)2915)116713(23)14(811)263h681723H45922H213H3
MFCD01855702
STK074296
ZINC000002268259
ZINC000002268260

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Available files

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