Vitas-M small molecule compound

ethyl 6-amino-4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate

Catalog ID
STK955980
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1cc(COc2ccc(cc2C)Cl)c(cc1C)C)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 C26H27ClN2O4 MW 466.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN2O4/c1-6-31-26(30)23-17(5)33-25(29)21(12-28)24(23)20-11-18(14(2)9-15(20)3)13-32-22-8-7-19(27)10-16(22)4/h7-11,24H,6,13,29H2,1-5H3
InChIKey
XPFBTUPQSXGFAR-UHFFFAOYSA-N
Synonyms
438214-97-2
438214972
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2C)C)COC3=C(C=C(C=C3)Cl)C)C#N)N)C
ethyl6amino4(5((4chloro2methylphenoxy)methyl)24dimethylphenyl)5cyano2methyl4Hpyran3carboxylate
InChI=1SC26H27ClN2O4c163126(30)2317(5)3325(29)21(1228)24(23)201118(14(2)915(20)3)1332228719(27)1016(22)4h71124H61329H215H3
MFCD03074158
ZINC000002730577
ZINC000002730578
ZINC02730577

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Available files

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