Vitas-M small molecule compound
4-methoxy-6,6-dimethyl-5-[(3E)-2-oxo-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-1-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553416
SMILES COc1c2OCOc2cc2c1C(CC(=O)/C=C/C1=C(C)CCCC1(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 C26H36NO4 MW 426.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36NO4/c1-17-8-7-12-26(2,3)20(17)10-9-19(28)15-21-23-18(11-13-27(21,4)5)14-22-24(25(23)29-6)31-16-30-22/h9-10,14,21H,7-8,11-13,15-16H2,1-6H3/q+1/b10-9+InChIKey
OKLOMNFMQPFSRB-MDZDMXLPSA-NSynonyms
(~(E))1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)4(266trimethylcyclohexen1yl)but3en2one
(E)1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)4(266TRIMETHYLCYCLOHEXEN1YL)BUT3EN2ONE
(E)4methoxy66dimethyl5(2oxo4(266trimethylcyclohex1en1yl)but3en1yl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
4methoxy66dimethyl5((3E)2oxo4(266trimethylcyclohex1en1yl)but3en1yl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5907287
COc1c2OCOc2cc2c1C(CC(=O)C=CC1=C(C)CCCC1(C)C)(N+)(CC2)(C)C(I)
InChI=1SC26H36NO4c117871226(23)20(17)10919(28)15212318(111327(214)5)142224(25(23)296)31163022h9101421H7811131516H216H3q+1b109+
ZINC000001280112
ZINC000001280114
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