Vitas-M small molecule compound

3,7-bis[(3,5-dinitrophenyl)carbonyl]-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one

Catalog ID
STK942535
SMILES CCCC12CN(CC(C2=O)(CN(C1)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CCC)C(=O)c1cc(cc(c1)[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 C27H28N6O11 MW 612.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O11/c1-3-5-26-13-28(23(34)17-7-19(30(37)38)11-20(8-17)31(39)40)15-27(6-4-2,25(26)36)16-29(14-26)24(35)18-9-21(32(41)42)12-22(10-18)33(43)44/h7-12H,3-6,13-16H2,1-2H3
InChIKey
ZRFSLTICKFTGPJ-UHFFFAOYSA-N
Synonyms

((1s5s)9oxo15dipropyl37diazabicyclo(331)nonane37diyl)bis((35dinitrophenyl)methanone)
37bis((35dinitrophenyl)carbonyl)15dipropyl37diazabicyclo(331)nonan9one
37BIS(35DINITROBENZOYL)15DIPROPYL37DIAZABICYCLO(331)NONAN9ONE
CCCC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))CCC)C(=O)C4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O)
CCCC12CN(CC(C2=O)(CN(C1)C(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))CCC)C(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC27H28N6O11c135261328(23(34)17719(30(37)38)1120(817)31(39)40)1527(64225(26)36)1629(1426)24(35)18921(32(41)42)1222(1018)33(43)44h712H361316H212H3
MFCD03177292
ZINC000102840784
ZINC102840784

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Available files

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