Vitas-M small molecule compound
3-(2-bromoethyl)-7-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
Catalog ID
STK676800
SMILES BrCCN1CC2(CC(=CC(C1)(C2)[N+](=O)[O-])OC)[N+](=O)[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 C11H16BrN3O5 MW 350.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H16BrN3O5/c1-20-9-4-10(14(16)17)6-11(5-9,15(18)19)8-13(7-10)3-2-12/h4H,2-3,5-8H2,1H3InChIKey
OHHBZSHUJCYYTJ-UHFFFAOYSA-NSynonyms
3(2bromoethyl)7methoxy15dinitro3azabicyclo(331)non6ene
BrCCN1CC2(CC(=CC(C1)(C2)(N+)(=O)(O))OC)(N+)(=O)(O)
COC1=CC2(CC(C1)(CN(C2)CCBr)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC11H16BrN3O5c1209410(14(16)17)611(5915(18)19)813(710)3212h4H2358H21H3
MFCD02181619
ZINC000019831143
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