Vitas-M small molecule compound

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

Catalog ID
STL552912
SMILES COc1c2OCOc2cc2c1C(CC(=O)C1CCC(=CC1)CCC=C(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 C27H38NO4 MW 440.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38NO4/c1-18(2)7-6-8-19-9-11-20(12-10-19)23(29)16-22-25-21(13-14-28(22,3)4)15-24-26(27(25)30-5)32-17-31-24/h7,9,15,20,22H,6,8,10-14,16-17H2,1-5H3/q+1
InChIKey
GLCYMLMLQYKPQD-UHFFFAOYSA-N
Synonyms

2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)1(4(4methylpent3enyl)cyclohex3en1yl)ethanone
2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)1(4(4METHYLPENT3ENYL)CYCLOHEX3EN1YL)ETHANONE
3370021
4methoxy66dimethyl5(2(4(4methylpent3en1yl)cyclohex3en1yl)2oxoethyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy66dimethyl5(2(4(4methylpent3en1yl)cyclohex3en1yl)2oxoethyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)C1CCC(=CC1)CCC=C(C)C)(N+)(CC2)(C)C(I)
InChI=1SC27H38NO4c118(2)7681991120(121019)23(29)16222521(131428(223)4)152426(27(25)305)32173124h79152022H6810141617H215H3q+1
ZINC000001280427
ZINC000001280430

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Available files

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