Vitas-M small molecule compound

2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-[3-(phenylethynyl)phenyl]ethanone

Catalog ID
STL016479
SMILES COc1c2c(CCN(C2CC(=O)c2cccc(c2)C#Cc2ccccc2)C)cc2c1OCO2

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C28H25NO4 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO4/c1-29-14-13-22-16-25-27(33-18-32-25)28(31-2)26(22)23(29)17-24(30)21-10-6-9-20(15-21)12-11-19-7-4-3-5-8-19/h3-10,15-16,23H,13-14,17-18H2,1-2H3
InChIKey
VGIVXYWLJJYBAP-UHFFFAOYSA-N
Synonyms

2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1(3(phenylethynyl)phenyl)ethanone
2(4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin5yl)1(3(2phenylethynyl)phenyl)ethanone
CN1CCC2=CC3=C(C(=C2C1CC(=O)C4=CC=CC(=C4)C#CC5=CC=CC=C5)OC)OCO3
InChI=1SC28H25NO4c129141322162527(33183225)28(312)26(22)23(29)1724(30)21106920(1521)1211197435819h310151623H13141718H212H3
MFCD12968006
ZINC000036636073
ZINC000036636074

Check stock

See real-time availability and sample size for STL016479 on the Vitas-M platform.

Check stock on Vitas-M

Available files

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