Vitas-M small molecule compound

(2E)-1-(3,5-dimethylpiperidin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one

Catalog ID
STK417643
SMILES CC1CC(C)CN(C1)C(=O)/C=C/c1ccc(cc1)[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 C16H20N2O3 MW 288.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O3/c1-12-9-13(2)11-17(10-12)16(19)8-5-14-3-6-15(7-4-14)18(20)21/h3-8,12-13H,9-11H2,1-2H3/b8-5+
InChIKey
HMBWCLZWWZMIHT-VMPITWQZSA-N
Synonyms

(2E)1(35dimethylpiperidin1yl)3(4nitrophenyl)prop2en1one
(2E)1(35DIMETHYLPIPERIDYL)3(4NITROPHENYL)PROP2EN1ONE
(E)1(35DIMETHYLPIPERIDIN1YL)3(4NITROPHENYL)PROP2EN1ONE
CC1CC(C)CN(C1)C(=O)C=Cc1ccc(cc1)(N+)(=O)(O)
CC1CC(CN(C1)C(=O)C=CC2=CC=C(C=C2)(N+)(=O)(O))C
InChI=1SC16H20N2O3c112913(2)1117(1012)16(19)85143615(7414)18(20)21h381213H911H212H3b85+
MFCD03382222
ZINC000000473755
ZINC000016225854

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Available files

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