Vitas-M small molecule compound
5-(2-cyclododecyl-2-oxoethyl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552837
SMILES COc1c2OCOc2cc2c1C(CC(=O)C1CCCCCCCCCCC1)[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 C27H42NO4 MW 444.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42NO4/c1-28(2)16-15-21-17-24-26(32-19-31-24)27(30-3)25(21)22(28)18-23(29)20-13-11-9-7-5-4-6-8-10-12-14-20/h17,20,22H,4-16,18-19H2,1-3H3/q+1InChIKey
WHXJSMKZMOACSR-UHFFFAOYSA-NSynonyms
1cyclododecyl2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)ethanone
1CYCLODODECYL2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)ETHANONE
4321593
5(2cyclododecyl2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2cyclododecyl2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)C1CCCCCCCCCCC1)(N+)(CC2)(C)C(I)
InChI=1SC27H42NO4c128(2)161521172426(32193124)27(303)25(21)22(28)1823(29)20131197546810121420h172022H4161819H213H3q+1
ZINC000002110327
ZINC000002110328
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