Vitas-M small molecule compound

4-amino-3,6-di-tert-butylcyclohexa-3,5-diene-1,2-dione

Catalog ID
STK525400
SMILES O=C1C(=O)C(=C(C=C1C(C)(C)C)N)C(C)(C)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 C14H21NO2 MW 235.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21NO2/c1-13(2,3)8-7-9(15)10(14(4,5)6)12(17)11(8)16/h7H,15H2,1-6H3
InChIKey
NKXSSAYDLPNIOS-UHFFFAOYSA-N
Synonyms
5175-71-3
4amino36ditertbutylcyclohexa35diene12dione
5175713
CC(C)(C)C1=CC(=C(C(=O)C1=O)C(C)(C)C)N
InChI=1SC14H21NO2c113(23)879(15)10(14(45)6)12(17)11(8)16h7H15H216H3
MFCD00441923
ZINC000100704861
ZINC100704861

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.