Vitas-M small molecule compound

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

Catalog ID
STK642245
SMILES N#Cc1c(OCC(=O)O)nc(c2c1CCCC2)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 C13H14N2O3 MW 246.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O3/c1-8-9-4-2-3-5-10(9)11(6-14)13(15-8)18-7-12(16)17/h2-5,7H2,1H3,(H,16,17)
InChIKey
YNRIFTQGCJWDFB-UHFFFAOYSA-N
Synonyms
951927-11-0
((4cyano1methyl5678tetrahydroisoquinolin3yl)oxy)aceticacid
2((4cyano1methyl5678tetrahydroisoquinolin3yl)oxy)aceticacid
951927110
CC1=C2CCCCC2=C(C(=N1)OCC(=O)O)C#N
InChI=1SC13H14N2O3c189423510(9)11(614)13(158)18712(16)17h257H21H3(H1617)
MFCD09851777
ZINC000013690440
ZINC13690440

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Available files

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