Vitas-M small molecule compound

1,5-diethyl-3,7-bis[(3-nitrophenyl)acetyl]-3,7-diazabicyclo[3.3.1]nonan-9-one

Catalog ID
STL234780
SMILES CCC12CN(CC(C2=O)(CN(C1)C(=O)Cc1cccc(c1)[N+](=O)[O-])CC)C(=O)Cc1cccc(c1)[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 C27H30N4O7 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O7/c1-3-26-15-28(23(32)13-19-7-5-9-21(11-19)30(35)36)17-27(4-2,25(26)34)18-29(16-26)24(33)14-20-8-6-10-22(12-20)31(37)38/h5-12H,3-4,13-18H2,1-2H3
InChIKey
FZASFKPHUKWPDL-UHFFFAOYSA-N
Synonyms
385387-24-6
11((1s5s)15diethyl9oxo37diazabicyclo(331)nonane37diyl)bis(2(3nitrophenyl)ethanone)
15diethyl37bis((3nitrophenyl)acetyl)37diazabicyclo(331)nonan9one
15DIETHYL37BIS(2(3NITROPHENYL)ACETYL)37DIAZABICYCLO(331)NONAN9ONE
385387246
CCC12CN(CC(C1=O)(CN(C2)C(=O)CC3=CC(=CC=C3)(N+)(=O)(O))CC)C(=O)CC4=CC(=CC=C4)(N+)(=O)(O)
CCC12CN(CC(C2=O)(CN(C1)C(=O)Cc1cccc(c1)(N+)(=O)(O))CC)C(=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC27H30N4O7c13261528(23(32)131975921(1119)30(35)36)1727(4225(26)34)1829(1626)24(33)1420861022(1220)31(37)38h512H341318H212H3
MFCD03177282
ZINC000009216447
ZINC09216447
ZINC9216447

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Available files

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