Vitas-M small molecule compound
5-[(3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-2-oxobut-3-en-1-yl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552884
SMILES COc1c2OCOc2cc2c1C(CC(=O)/C=C/C1CC=C(CC1C)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 C25H34NO4 MW 412.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34NO4/c1-16-6-7-18(17(2)12-16)8-9-20(27)14-21-23-19(10-11-26(21,3)4)13-22-24(25(23)28-5)30-15-29-22/h6,8-9,13,17-18,21H,7,10-12,14-15H2,1-5H3/q+1/b9-8+InChIKey
FNJKRRDEBYRSCF-CMDGGOBGSA-NSynonyms
(~(E))4(46dimethylcyclohex3en1yl)1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)but3en2one
(E)4(46DIMETHYLCYCLOHEX3EN1YL)1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)BUT3EN2ONE
(E)5(4(46dimethylcyclohex3en1yl)2oxobut3en1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
5((3E)4(46dimethylcyclohex3en1yl)2oxobut3en1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
6051566
COc1c2OCOc2cc2c1C(CC(=O)C=CC1CC=C(CC1C)C)(N+)(CC2)(C)C(I)
InChI=1SC25H34NO4c1166718(17(2)1216)8920(27)14212319(101126(213)4)132224(25(23)285)30152922h68913171821H710121415H215H3q+1b98+
ZINC000012659608
ZINC000252441091
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