Vitas-M small molecule compound

5-butyl-7-methyl-2-(3-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

Catalog ID
STL041729
SMILES CCCCC12CN3CC(C2=O)(CN(C1)C3c1cccc(c1)[N+](=O)[O-])C

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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 C19H25N3O3 MW 343.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3/c1-3-4-8-19-12-20-10-18(2,17(19)23)11-21(13-19)16(20)14-6-5-7-15(9-14)22(24)25/h5-7,9,16H,3-4,8,10-13H2,1-2H3
InChIKey
WUWUHLLWAHYYMC-UHFFFAOYSA-N
Synonyms
1003517-28-9
(1R3S5r7s)5butyl7methyl2(3nitrophenyl)13diazaadamantan6one
1003517289
5butyl7methyl2(3nitrophenyl)13diazatricyclo(3311~37~)decan6one
CCCCC12CN3CC(C1=O)(CN(C2)C3C4=CC(=CC=C4)(N+)(=O)(O))C
CCCCC12CN3CC(C2=O)(CN(C1)C3c1cccc(c1)(N+)(=O)(O))C
InChI=1SC19H25N3O3c13481912201018(217(19)23)1121(1319)16(20)1465715(914)22(24)25h57916H3481013H212H3
MFCD04158855
ZINC000019327094
ZINC19327094

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Available files

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