Vitas-M small molecule compound
5-[2-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552910
SMILES COc1c2OCOc2cc2c1C(CC(=O)c1cc(cc3c1CCC3(C)C)C(C)(C)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 C30H40NO4 MW 478.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40NO4/c1-29(2,3)19-14-21(20-9-11-30(4,5)22(20)15-19)24(32)16-23-26-18(10-12-31(23,6)7)13-25-27(28(26)33-8)35-17-34-25/h13-15,23H,9-12,16-17H2,1-8H3/q+1InChIKey
VHUSTIPJMIYNLH-UHFFFAOYSA-NSynonyms
1(6~(tert)butyl11dimethyl23dihydroinden4yl)2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)ethanone
1(6TERTBUTYL11DIMETHYL23DIHYDROINDEN4YL)2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)ETHANONE
3732396
5(2(6(tertbutyl)11dimethyl23dihydro1Hinden4yl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
5(2(6tertbutyl11dimethyl23dihydro1Hinden4yl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
COc1c2OCOc2cc2c1C(CC(=O)c1cc(cc3c1CCC3(C)C)C(C)(C)C)(N+)(CC2)(C)C(I)
InChI=1SC30H40NO4c129(23)191421(2091130(45)22(20)1519)24(32)16232618(101231(236)7)132527(28(26)338)35173425h131523H9121617H218H3q+1
ZINC000001836880
ZINC000001836881
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