Vitas-M small molecule compound

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

Catalog ID
STK832939
SMILES CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1cc(OC)c(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 C22H26N2O8 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O8/c1-6-30-18(25)10-17-20(22(26)31-7-2)19(13(11-23)21(24)32-17)12-8-15(28-4)16(29-5)9-14(12)27-3/h8-9,19H,6-7,10,24H2,1-5H3
InChIKey
IOXJACJFBTUQPH-UHFFFAOYSA-N
Synonyms
354555-18-3
354555183
CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2OC)OC)OC)C(=O)OCC
ethyl6amino5cyano2(2ethoxy2oxoethyl)4(245trimethoxyphenyl)4Hpyran3carboxylate
InChI=1SC22H26N2O8c163018(25)101720(22(26)3172)19(13(1123)21(24)3217)12815(284)16(295)914(12)273h8919H671024H215H3
MFCD01878829
ZINC000003653508
ZINC000003653509

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Available files

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