Vitas-M small molecule compound
1-[3-bromo-2-(2-methoxy-2-oxoethoxy)benzyl]-3,5-diaza-1-azoniatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STL147181
SMILES COC(=O)COc1c(Br)cccc1C[N+]12CC3CN(C2)CN(C1)C3
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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 C17H23BrN3O3 MW 397.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23BrN3O3/c1-23-16(22)9-24-17-14(3-2-4-15(17)18)8-21-7-13-5-19(11-21)10-20(6-13)12-21/h2-4,13H,5-12H2,1H3/q+1InChIKey
GBHZKMBUFZFWTJ-UHFFFAOYSA-NSynonyms
(1S3S7S)1(3bromo2(2methoxy2oxoethoxy)benzyl)135triazaadamantan1iumchloride
1(3bromo2(2methoxy2oxoethoxy)benzyl)35diaza1azoniatricyclo(3311~37~)decane
COC(=O)COC1=C(C=CC=C1Br)C(N+)23CC4CN(C2)CN(C4)C3
COC(=O)COc1c(Br)cccc1C(N+)12CC3CN(C2)CN(C1)C3
COC(=O)COc1c(Br)cccc1C(N+)12CC3CN(C2)CN(C1)C3(Cl)
InChI=1SC17H23BrN3O3c12316(22)9241714(32415(17)18)821713519(1121)1020(613)1221h2413H512H21H3q+1
MFCD03008274
ZINC000019324314
ZINC19324314
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