Vitas-M small molecule compound

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

Catalog ID
STK544697
SMILES CCCC12CN(CC(C2=O)(CN(C1)C(=O)Cc1cccc(c1)[N+](=O)[O-])CCC)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 C29H34N4O7 MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O7/c1-3-11-28-17-30(25(34)15-21-7-5-9-23(13-21)32(37)38)19-29(12-4-2,27(28)36)20-31(18-28)26(35)16-22-8-6-10-24(14-22)33(39)40/h5-10,13-14H,3-4,11-12,15-20H2,1-2H3
InChIKey
UCVLIPMPTBWMAY-UHFFFAOYSA-N
Synonyms

11((1s5s)9oxo15dipropyl37diazabicyclo(331)nonane37diyl)bis(2(3nitrophenyl)ethanone)
37bis((3nitrophenyl)acetyl)15dipropyl37diazabicyclo(331)nonan9one
37BIS(2(3NITROPHENYL)ACETYL)15DIPROPYL37DIAZABICYCLO(331)NONAN9ONE
CCCC12CN(CC(C1=O)(CN(C2)C(=O)CC3=CC(=CC=C3)(N+)(=O)(O))CCC)C(=O)CC4=CC(=CC=C4)(N+)(=O)(O)
CCCC12CN(CC(C2=O)(CN(C1)C(=O)Cc1cccc(c1)(N+)(=O)(O))CCC)C(=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC29H34N4O7c1311281730(25(34)152175923(1321)32(37)38)1929(124227(28)36)2031(1828)26(35)1622861024(1422)33(39)40h5101314H3411121520H212H3
MFCD03177290
ZINC000001317283
ZINC01317283
ZINC1317283

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Available files

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