Vitas-M small molecule compound
5-[2-(1,1,2,3,3,6-hexamethyl-2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552916
SMILES COc1c2OCOc2cc2c1C(CC(=O)c1cc3c(cc1C)C(C(C3(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/c1-17-12-21-22(30(5,6)18(2)29(21,3)4)14-20(17)24(32)15-23-26-19(10-11-31(23,7)8)13-25-27(28(26)33-9)35-16-34-25/h12-14,18,23H,10-11,15-16H2,1-9H3/q+1InChIKey
FALHEEPRKTYOPJ-UHFFFAOYSA-NSynonyms
1(112336hexamethyl2~(H)inden5yl)2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)ethanone
3718425
5(2(112336hexamethyl23dihydro1Hinden5yl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2(112336hexamethyl23dihydro1Hinden5yl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)c1cc3c(cc1C)C(C(C3(C)C)C)(C)C)(N+)(CC2)(C)C(I)
InChI=1SC30H40NO4c117122122(30(56)18(2)29(213)4)1420(17)24(32)15232619(101131(237)8)132527(28(26)339)35163425h12141823H10111516H219H3q+1
ZINC000001280060
ZINC000001280063
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