Vitas-M small molecule compound
5-[(3E)-4-(1H-indol-3-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
STL553019
SMILES COc1c2OCOc2cc2c1C(CC(=O)/C=C/c1c[nH]c3c1cccc3)[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 C25H27N2O4 MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4/c1-27(2)11-10-16-12-22-24(31-15-30-22)25(29-3)23(16)21(27)13-18(28)9-8-17-14-26-20-7-5-4-6-19(17)20/h4-9,12,14,21H,10-11,13,15H2,1-3H3/p+1InChIKey
HZBPGVLYWBSVJI-UHFFFAOYSA-OSynonyms
(~(E))4(1~(H)indol3yl)1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)but3en2one
(E)4(1HINDOL3YL)1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)BUT3EN2ONE
(E)5(4(1Hindol3yl)2oxobut3en1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
5((3E)4(1Hindol3yl)2oxobut3en1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5797261
COc1c2OCOc2cc2c1C(CC(=O)C=Cc1c(nH)c3c1cccc3)(N+)(CC2)(C)C(I)
InChI=1SC25H26N2O4c127(2)111016122224(31153022)25(293)23(16)21(27)1318(28)9817142620754619(17)20h49121421H10111315H213H3p+1
ZINC000001280261
ZINC000001280263
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