Vitas-M small molecule compound

azepan-1-yl(3,5-di-tert-butylphenyl)methanone

Catalog ID
STL411983
SMILES O=C(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)N1CCCCCC1

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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 C21H33NO MW 315.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO/c1-20(2,3)17-13-16(14-18(15-17)21(4,5)6)19(23)22-11-9-7-8-10-12-22/h13-15H,7-12H2,1-6H3
InChIKey
NFZBJTYXKSVRIC-UHFFFAOYSA-N
Synonyms

azepan1yl(35ditertbutylphenyl)methanone
CC(C)(C)C1=CC(=CC(=C1)C(=O)N2CCCCCC2)C(C)(C)C
InChI=1SC21H33NOc120(23)171316(1418(1517)21(45)6)19(23)2211978101222h1315H712H216H3
MFCD03719741
ZINC000002826270
ZINC02826270
ZINC2826270

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Available files

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