Vitas-M small molecule compound

methyl [(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]acetate

Catalog ID
STK641100
SMILES COC(=O)COc1nc(C)c2c(c1C#N)CCCC2

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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 C14H16N2O3 MW 260.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O3/c1-9-10-5-3-4-6-11(10)12(7-15)14(16-9)19-8-13(17)18-2/h3-6,8H2,1-2H3
InChIKey
ZBQCXMNKJABPLD-UHFFFAOYSA-N
Synonyms
951957-27-0
951957270
CC1=C2CCCCC2=C(C(=N1)OCC(=O)OC)C#N
InChI=1SC14H16N2O3c1910534611(10)12(715)14(169)19813(17)182h368H212H3
methyl((4cyano1methyl5678tetrahydroisoquinolin3yl)oxy)acetate
methyl2((4cyano1methyl5678tetrahydroisoquinolin3yl)oxy)acetate
MFCD09856795
ZINC000013727821
ZINC13727821

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Available files

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