Vitas-M small molecule compound

4-methoxy-6,6-dimethyl-5-{2-[4-(2-methylpropyl)phenyl]-2-oxoethyl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Catalog ID
STL552872
SMILES COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)CC(C)C)[N+](CC2)(C)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 C25H32NO4 MW 410.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32NO4/c1-16(2)12-17-6-8-18(9-7-17)21(27)14-20-23-19(10-11-26(20,3)4)13-22-24(25(23)28-5)30-15-29-22/h6-9,13,16,20H,10-12,14-15H2,1-5H3/q+1
InChIKey
SXVBRXBANMNIDB-UHFFFAOYSA-N
Synonyms

2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)1(4(2methylpropyl)phenyl)ethanone
2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)1(4(2METHYLPROPYL)PHENYL)ETHANONE
3726468
4methoxy66dimethyl5(2(4(2methylpropyl)phenyl)2oxoethyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2(4isobutylphenyl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)CC(C)C)(N+)(CC2)(C)C(I)
InChI=1SC25H32NO4c116(2)12176818(9717)21(27)14202319(101126(203)4)132224(25(23)285)30152922h69131620H10121415H215H3q+1
ZINC000001280175
ZINC000001280176

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Available files

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