Vitas-M small molecule compound

5,7-diethyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

Catalog ID
STK381354
SMILES CCC12CN3CC(C2=O)(CN(C1)C3c1ccc(o1)[N+](=O)[O-])CC

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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 C16H21N3O4 MW 319.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O4/c1-3-15-7-17-9-16(4-2,14(15)20)10-18(8-15)13(17)11-5-6-12(23-11)19(21)22/h5-6,13H,3-4,7-10H2,1-2H3
InChIKey
AECYXACDIKKMNV-UHFFFAOYSA-N
Synonyms
441744-25-8
(1r5R7S)57diethyl2(5nitrofuran2yl)13diazaadamantan6one
441744258
57diethyl2(5nitrofuran2yl)13diazatricyclo(3311~37~)decan6one
CC(C@)12CN3C(C@@)(C2=O)(CN(C1)C3c1ccc(o1)(N+)(=O)(O))CC
CCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(O4)(N+)(=O)(O))CC
CCC12CN3CC(C2=O)(CN(C1)C3c1ccc(o1)(N+)(=O)(O))CC
InChI=1SC16H21N3O4c1315717916(4214(15)20)1018(815)13(17)115612(2311)19(21)22h5613H34710H212H3
MFCD03016307
ZINC000019323190
ZINC19323190

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Available files

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