Vitas-M small molecule compound
(2Z,6E)-2,6-bis(5-bromo-2-methoxybenzylidene)-4-tert-butylcyclohexanone
Catalog ID
STK663374
SMILES COc1ccc(cc1/C=C/1\CC(C/C(=C/c2cc(Br)ccc2OC)/C1=O)C(C)(C)C)Br
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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 C26H28Br2O3 MW 548.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28Br2O3/c1-26(2,3)20-12-18(10-16-14-21(27)6-8-23(16)30-4)25(29)19(13-20)11-17-15-22(28)7-9-24(17)31-5/h6-11,14-15,20H,12-13H2,1-5H3/b18-10-,19-11+InChIKey
ZJFUERLOQULAKO-OMYAATJGSA-NSynonyms
(2Z6E)26bis((5bromo2methoxyphenyl)methylidene)4tertbutylcyclohexan1one
(2Z6E)26bis(5bromo2methoxybenzylidene)4tertbutylcyclohexanone
CC(C)(C)C1CC(=CC2=C(C=CC(=C2)Br)OC)C(=O)C(=CC3=C(C=CC(=C3)Br)OC)C1
COc1ccc(cc1C=C1CC(CC(=Cc2cc(Br)ccc2OC)C1=O)C(C)(C)C)Br
InChI=1SC26H28Br2O3c126(23)201218(10161421(27)6823(16)304)25(29)19(1320)11171522(28)7924(17)315h611141520H1213H215H3b18101911+
MFCD01895907
ZINC000245226490
ZINC000245226491
ZINC3671036
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