Vitas-M small molecule compound
5-(5-bromo-1H-indol-3-yl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552882
SMILES COc1c2OCOc2cc2c1C(c1c[nH]c3c1cc(Br)cc3)[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 C21H22BrN2O3 MW 430.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN2O3/c1-24(2)7-6-12-8-17-20(27-11-26-17)21(25-3)18(12)19(24)15-10-23-16-5-4-13(22)9-14(15)16/h4-5,8-10,19,23H,6-7,11H2,1-3H3/q+1InChIKey
NIDMHAHZQCAPSS-UHFFFAOYSA-NSynonyms
4371921
5(5bromo1~(H)indol3yl)4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium
5(5bromo1Hindol3yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(5bromo1Hindol3yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
5(5BROMO1HINDOL3YL)4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM
COc1c2OCOc2cc2c1C(c1c(nH)c3c1cc(Br)cc3)(N+)(CC2)(C)C(I)
InChI=1SC21H22BrN2O3c124(2)761281720(27112617)21(253)18(12)19(24)151023165413(22)914(15)16h458101923H6711H213H3q+1
ZINC000001280254
ZINC000001280255
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