Vitas-M small molecule compound
3-benzyl-6-(2-chloroethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
Catalog ID
STK676801
SMILES ClCCOC1=CCC2(CC1(CN(C2)Cc1ccccc1)[N+](=O)[O-])[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 C17H20ClN3O5 MW 381.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20ClN3O5/c18-8-9-26-15-6-7-16(20(22)23)11-17(15,21(24)25)13-19(12-16)10-14-4-2-1-3-5-14/h1-6H,7-13H2InChIKey
XLXZSWPVZWFUCK-UHFFFAOYSA-NSynonyms
3AZABICYCLO(331)NON6ENE3BENZYL6(2CHLOROETHYL)59DINITRO
3BENZYL15DINITRO3AZABICYCLO(331)NON6EN6YL2CHLOROETHYLETHER
3benzyl6(2chloroethoxy)15dinitro3azabicyclo(331)non6ene
C1C=C(C2(CC1(CN(C2)CC3=CC=CC=C3)(N+)(=O)(O))(N+)(=O)(O))OCCCl
ClCCOC1=CCC2(CC1(CN(C2)Cc1ccccc1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H20ClN3O5c188926156716(20(22)23)1117(1521(24)25)1319(1216)10144213514h16H713H2
MFCD02174446
ZINC000022027981
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