Vitas-M small molecule compound
4-methoxy-6,6-dimethyl-5-[(3E,5Z)-6-methyl-2-oxo-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-3,5-dien-1-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553023
SMILES COc1c2OCOc2cc2c1C(CC(=O)/C=C/C=C(\CCC1=C(C)CCCC1(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 C31H44NO4 MW 494.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H44NO4/c1-21(13-14-25-22(2)11-9-16-31(25,3)4)10-8-12-24(33)19-26-28-23(15-17-32(26,5)6)18-27-29(30(28)34-7)36-20-35-27/h8,10,12,18,26H,9,11,13-17,19-20H2,1-7H3/q+1/b12-8+,21-10-InChIKey
MHEZYHZZFQRPBU-JUZGXVLRSA-NSynonyms
(3~(E)5~(Z))1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)6methyl8(266trimethylcyclohexen1yl)octa35dien2one
16397826
4methoxy66dimethyl5((3E5Z)6methyl2oxo8(266trimethylcyclohex1en1yl)octa35dien1yl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy66dimethyl5((3E5Z)6methyl2oxo8(266trimethylcyclohex1en1yl)octa35dien1yl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)C=CC=C(CCC1=C(C)CCCC1(C)C)C)(N+)(CC2)(C)C(I)
InChI=1SC31H44NO4c121(13142522(2)1191631(253)4)1081224(33)19262823(151732(265)6)182729(30(28)347)36203527h810121826H91113171920H217H3q+1b128+2110
ZINC000008817008
ZINC000008817009
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