Vitas-M small molecule compound
7-carbamoyl-3,3-dimethyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene
Catalog ID
STK870317
SMILES NC(=O)C1=CC2(CC(C1)(C[N+](C2)(C)C)[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 C11H17N4O5 MW 285.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H16N4O5/c1-15(2)6-10(13(17)18)3-8(9(12)16)4-11(5-10,7-15)14(19)20/h3H,4-7H2,1-2H3,(H-,12,16)/p+1InChIKey
BQPYHSCYMLFJJR-UHFFFAOYSA-OSynonyms
33DIMETHYL15DINITRO3AZONIABICYCLO(331)NON6ENE7CARBOXAMIDE
7CARBAMOYL33DIMETHYL15DINITRO3AZONIABICYCLO(331)NON6ENE
C(N+)1(CC2(CC(=CC(C2)(C1)(N+)(=O)(O))C(=O)N)(N+)(=O)(O))C
InChI=1SC11H16N4O5c115(2)610(13(17)18)38(9(12)16)411(510715)14(19)20h3H47H212H3(H1216)p+1
NC(=O)C1=CC2(CC(C1)(C(N+)(C2)(C)C)(N+)(=O)(O))(N+)(=O)(O)
ZINC000100093123
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