Vitas-M small molecule compound

4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-9-[(2E)-3-(4-methylphenyl)prop-2-enoyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Catalog ID
STL553007
SMILES COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccc(cc2)C)OCO1

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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 C25H28NO6 MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28NO6/c1-16-5-7-17(8-6-16)9-10-20(27)22-18-11-12-26(2,14-21(28)29-3)13-19(18)23(30-4)25-24(22)31-15-32-25/h5-10H,11-15H2,1-4H3/q+1/b10-9+
InChIKey
RXSQHEKHLDMIDP-MDZDMXLPSA-N
Synonyms

(E)4methoxy6(2methoxy2oxoethyl)6methyl9(3(ptolyl)acryloyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumbromide
4methoxy6(2methoxy2oxoethyl)6methyl9((2E)3(4methylphenyl)prop2enoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5860406
COC(=O)C(N+)1(C)CCc2c(C1)c(OC)c1c(c2C(=O)C=Cc2ccc(cc2)C)OCO1(Br)
InChI=1SC25H28NO6c1165717(8616)91020(27)2218111226(21421(28)293)1319(18)23(304)2524(22)31153225h510H1115H214H3q+1b109+
methyl2(4methoxy6methyl9((~(E))3(4methylphenyl)prop2enoyl)78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)acetate
METHYL2(4METHOXY6METHYL9((E)3(4METHYLPHENYL)PROP2ENOYL)78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM6YL)ACETATE
ZINC000253390542
ZINC000253390545
ZINC9334283

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Available files

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