Vitas-M small molecule compound
5-(3-cyclododecyl-2-oxopropyl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553323
SMILES COc1c2OCOc2cc2c1C(CC(=O)CC1CCCCCCCCCCC1)[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 C28H44NO4 MW 458.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44NO4/c1-29(2)16-15-22-18-25-27(33-20-32-25)28(31-3)26(22)24(29)19-23(30)17-21-13-11-9-7-5-4-6-8-10-12-14-21/h18,21,24H,4-17,19-20H2,1-3H3/q+1InChIKey
BCVCEVKORSHMCN-UHFFFAOYSA-NSynonyms
1cyclododecyl3(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)propan2one
1CYCLODODECYL3(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)PROPAN2ONE
3757363
5(3cyclododecyl2oxopropyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(3cyclododecyl2oxopropyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumbromide
COc1c2OCOc2cc2c1C(CC(=O)CC1CCCCCCCCCCC1)(N+)(CC2)(C)C(Br)
InChI=1SC28H44NO4c129(2)161522182527(33203225)28(313)26(22)24(29)1923(30)1721131197546810121421h182124H4171920H213H3q+1
ZINC000008767316
ZINC000008767320
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