Vitas-M small molecule compound
3-(4-bromo-5-oxido-1,2,5-oxadiazol-3-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl nitrate
Catalog ID
STL059157
SMILES [O-][N+](=O)OC12CC3CC(C1)CC(C2)(C3)c1no[n+](c1Br)[O-]
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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 C12H14BrN3O5 MW 360.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14BrN3O5/c13-10-9(14-21-15(10)17)11-2-7-1-8(3-11)5-12(4-7,6-11)20-16(18)19/h7-8H,1-6H2InChIKey
NRDWTHHQSWDPLI-UHFFFAOYSA-NSynonyms
(3(4BROMO5OXIDO125OXADIAZOL5IUM3YL)1ADAMANTYL)NITRATE
(O)(N+)(=O)OC12CC3CC(C1)CC(C2)(C3)c1no(n+)(c1Br)(O)
3(4bromo5oxido125oxadiazol3yl)tricyclo(3311~37~)dec1ylnitrate
3bromo4((1r3s5R7S)3(nitrooxy)adamantan1yl)125oxadiazole2oxide
C1C2CC3(CC1CC(C2)(C3)O(N+)(=O)(O))C4=NO(N+)(=C4Br)(O)
InChI=1SC12H14BrN3O5c13109(142115(10)17)112718(311)512(47611)2016(18)19h78H16H2
MFCD02234333
ZINC000012436665
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