Vitas-M small molecule compound

methyl 6-amino-5-cyano-2-(methoxymethyl)-4-(3-methylphenyl)-4H-pyran-3-carboxylate

Catalog ID
STK755346
SMILES COCC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1cccc(c1)C

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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 C17H18N2O4 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O4/c1-10-5-4-6-11(7-10)14-12(8-18)16(19)23-13(9-21-2)15(14)17(20)22-3/h4-7,14H,9,19H2,1-3H3
InChIKey
DBHAWKNUOPQMSL-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C2C(=C(OC(=C2C(=O)OC)COC)N)C#N
InChI=1SC17H18N2O4c11054611(710)1412(818)16(19)2313(9212)15(14)17(20)223h4714H919H213H3
methyl6amino5cyano2(methoxymethyl)4(3methylphenyl)4Hpyran3carboxylate
MFCD00827856
ZINC000004189167
ZINC000004189168

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Available files

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