Vitas-M small molecule compound

ethyl 6-amino-5-cyano-4-(3-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate

Catalog ID
STK043758
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1cccc(c1)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 C16H16N2O4 MW 300.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O4/c1-3-21-16(20)13-9(2)22-15(18)12(8-17)14(13)10-5-4-6-11(19)7-10/h4-7,14,19H,3,18H2,1-2H3
InChIKey
MYKDSCSTFOVSPC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)OC(=C(C1c1cccc(c1)O)C#N)N
CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)O)C#N)N)C
ETHYL6AMINO5CYANO4(3HYDROXYPHENYL)2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC16H16N2O4c132116(20)139(2)2215(18)12(817)14(13)1054611(19)710h471419H318H212H3
MFCD00551361
STK043758
ZINC000000038815
ZINC000000038816
ZINC00038815

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Available files

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