Vitas-M small molecule compound

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

Catalog ID
STK772970
SMILES CCCC12CN3CC(C2=O)(CN(C1)C3c1ccc(o1)[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 C16H21N3O4 MW 319.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O4/c1-3-6-16-9-17-7-15(2,14(16)20)8-18(10-16)13(17)11-4-5-12(23-11)19(21)22/h4-5,13H,3,6-10H2,1-2H3
InChIKey
JOUSNILLSQTPJG-UHFFFAOYSA-N
Synonyms
955975-22-1
(1R2r3S5s7r)5methyl2(5nitrofuran2yl)7propyl13diazaadamantan6one
5methyl2(5nitrofuran2yl)7propyl13diazatricyclo(3311~37~)decan6one
955975221
CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(O4)(N+)(=O)(O))C
CCCC12CN3CC(C2=O)(CN(C1)C3c1ccc(o1)(N+)(=O)(O))C
InChI=1SC16H21N3O4c13616917715(214(16)20)818(1016)13(17)114512(2311)19(21)22h4513H3610H212H3
MFCD03678960
ZINC000019322266
ZINC19322266

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Available files

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