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-[(E)-2-(pyridin-2-yl)ethenyl]phenyl}ethanone
Catalog ID
STL023356
SMILES COc1c2c(CCN(C2CC(=O)c2cccc(c2)/C=C/c2ccccn2)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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-29-13-11-20-15-24-26(33-17-32-24)27(31-2)25(20)22(29)16-23(30)19-7-5-6-18(14-19)9-10-21-8-3-4-12-28-21/h3-10,12,14-15,22H,11,13,16-17H2,1-2H3/b10-9+InChIKey
QFGJBGZVVRNWQO-MDZDMXLPSA-NSynonyms
924822-13-9(E)2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1(3(2(pyridin2yl)vinyl)phenyl)ethanone
2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1(3((E)2(pyridin2yl)ethenyl)phenyl)ethanone
2(4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin5yl)1(3((E)2pyridin2ylethenyl)phenyl)ethanone
924822139
CN1CCC2=CC3=C(C(=C2C1CC(=O)C4=CC=CC(=C4)C=CC5=CC=CC=N5)OC)OCO3
COc1c2c(CCN(C2CC(=O)c2cccc(c2)C=Cc2ccccn2)C)cc2c1OCO2
InChI=1SC27H26N2O4c129131120152426(33173224)27(312)25(20)22(29)1623(30)1975618(1419)91021834122821h31012141522H11131617H212H3b109+
MFCD09760378
ZINC000020310964
ZINC000020310967
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