Vitas-M small molecule compound

3-[(3-bromo-4-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

Catalog ID
STK021938
SMILES O=C1C=C(Nc2ccc(c(c2)Br)C)CC(C1)(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 C15H18BrNO MW 308.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18BrNO/c1-10-4-5-11(7-14(10)16)17-12-6-13(18)9-15(2,3)8-12/h4-7,17H,8-9H2,1-3H3
InChIKey
IODKLQSNWRXNCM-UHFFFAOYSA-N
Synonyms

3((3BROMO4METHYLPHENYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
3(3BROMO4METHYLANILINO)55DIMETHYLCYCLOHEX2EN1ONE
CC1=C(C=C(C=C1)NC2=CC(=O)CC(C2)(C)C)Br
InChI=1SC15H18BrNOc1104511(714(10)16)1712613(18)915(23)812h4717H89H213H3
MFCD03159103
O=C1C=C(Nc2ccc(c(c2)Br)C)CC(C1)(C)C
STK021938
ZINC000000038114
ZINC00038114
ZINC38114

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Available files

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