Vitas-M small molecule compound

4-bromo-2,7-di-tert-butyl-5-methylcyclohepta-2,4,6-trien-1-one

Catalog ID
STK538175
SMILES Cc1cc(c(=O)c(cc1Br)C(C)(C)C)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 C16H23BrO MW 311.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23BrO/c1-10-8-11(15(2,3)4)14(18)12(9-13(10)17)16(5,6)7/h8-9H,1-7H3
InChIKey
OXWSDTDZJWBNTB-UHFFFAOYSA-N
Synonyms
313980-77-7
313980777
4bromo27ditertbutyl5methylcyclohepta246trien1one
4bromo27ditertbutyl5methylcyclohepta246trienone
CC1=C(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)Br
InChI=1SC16H23BrOc110811(15(23)4)14(18)12(913(10)17)16(56)7h89H17H3
MFCD00760347
ZINC000002357382
ZINC02357382
ZINC2357382

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Available files

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