Vitas-M small molecule compound

3,7-bis[(3-nitrophenyl)acetyl]-1,5-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one

Catalog ID
STK542591
SMILES O=C(N1CC2(CN(CC(C1)(C2=O)C(C)C)C(=O)Cc1cccc(c1)[N+](=O)[O-])C(C)C)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/c1-19(2)28-15-30(25(34)13-21-7-5-9-23(11-21)32(37)38)17-29(20(3)4,27(28)36)18-31(16-28)26(35)14-22-8-6-10-24(12-22)33(39)40/h5-12,19-20H,13-18H2,1-4H3
InChIKey
DWEGUUWQSAJWHH-UHFFFAOYSA-N
Synonyms

11((1s5s)15diisopropyl9oxo37diazabicyclo(331)nonane37diyl)bis(2(3nitrophenyl)ethanone)
37bis((3nitrophenyl)acetyl)15di(propan2yl)37diazabicyclo(331)nonan9one
37BIS(2(3NITROPHENYL)ACETYL)15DI(PROPAN2YL)37DIAZABICYCLO(331)NONAN9ONE
CC(C)C12CN(CC(C1=O)(CN(C2)C(=O)CC3=CC(=CC=C3)(N+)(=O)(O))C(C)C)C(=O)CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC29H34N4O7c119(2)281530(25(34)132175923(1121)32(37)38)1729(20(3)427(28)36)1831(1628)26(35)1422861024(1222)33(39)40h5121920H1318H214H3
MFCD03177286
O=C(N1CC2(CN(CC(C1)(C2=O)C(C)C)C(=O)Cc1cccc(c1)(N+)(=O)(O))C(C)C)Cc1cccc(c1)(N+)(=O)(O)
ZINC000001301824
ZINC01301824
ZINC1301824

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Available files

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