Vitas-M small molecule compound
5-[3-(4-formyl-2-methoxyphenoxy)prop-1-yn-1-yl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553348
SMILES COc1cc(C=O)ccc1OCC#CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1
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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 C24H26NO6 MW 424.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26NO6/c1-25(2)10-9-17-13-21-23(31-15-30-21)24(28-4)22(17)18(25)6-5-11-29-19-8-7-16(14-26)12-20(19)27-3/h7-8,12-14,18H,9-11,15H2,1-4H3/q+1InChIKey
HLGGRVCZOPVRNO-UHFFFAOYSA-NSynonyms
16407786
3methoxy4(3(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)prop2ynoxy)benzaldehyde
5(3(4formyl2methoxyphenoxy)prop1yn1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(3(4formyl2methoxyphenoxy)prop1yn1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1cc(C=O)ccc1OCC#CC1c2c(CC(N+)1(C)C)cc1c(c2OC)OCO1(I)
InChI=1SC24H26NO6c125(2)10917132123(31153021)24(284)22(17)18(25)651129198716(1426)1220(19)273h78121418H91115H214H3q+1
ZINC000008879872
ZINC000008879873
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