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
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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 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,13-14,17-18H2,1-2H3InChIKey
VGIVXYWLJJYBAP-UHFFFAOYSA-NSynonyms
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
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