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(5aR,10bS)-2-Mesityl-4,5a,6,10b-tetrahydro-2H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-11-ium tetrafluoroborate
For research use only. Not for therapeutic Use.
(5aR,10bS)-2-Mesityl-4,5a,6,10b-tetrahydro-2H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-11-ium tetrafluoroborate(Cat No.:L002604)is a complex heterocyclic compound featuring a mesityl group and a fused triazolo-oxazin ring system. It exists as a tetrafluoroborate salt, enhancing its stability and solubility. This compound is significant in medicinal chemistry, often explored for its potential biological activities due to its intricate molecular structure. The chiral centers (5aR,10bS) add stereochemical specificity, making it a key intermediate in the development of enantioselective drugs and advanced materials. Its unique architecture makes it valuable in research and drug discovery.
Catalog Number | L002604 |
CAS Number | 925706-31-6 |
Molecular Formula | C21H22BF4N3O |
Purity | ≥95% |
IUPAC Name | (1S,9R)-4-(2,4,6-trimethylphenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;tetrafluoroborate |
InChI | InChI=1S/C21H22N3O.BF4/c1-13-8-14(2)20(15(3)9-13)24-12-23-19(22-24)11-25-18-10-16-6-4-5-7-17(16)21(18)23;2-1(3,4)5/h4-9,12,18,21H,10-11H2,1-3H3;/q+1;-1/t18-,21+;/m1./s1 |
InChIKey | SWQQKCHLASULCF-WKOQGQMTSA-N |
SMILES | [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=[N+]3C4C(CC5=CC=CC=C45)OCC3=N2)C |