Vitas-M small molecule compound
3-(4-bromobenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
Catalog ID
STK397174
SMILES O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(cc1)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 C16H15BrO4 MW 351.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrO4/c17-12-6-4-11(5-7-12)10-13-14(18)20-16(21-15(13)19)8-2-1-3-9-16/h4-7,10H,1-3,8-9H2InChIKey
DEIKHUVKPFPGID-UHFFFAOYSA-NSynonyms
3((4BROMOPHENYL)METHYLENE)15DIOXASPIRO(55)UNDECANE24DIONE
3((4bromophenyl)methylidene)15dioxaspiro(55)undecane24dione
3(4bromobenzylidene)15dioxaspiro(55)undecane24dione
9((4BROMOPHENYL)METHYLIDENE)711DIOXASPIRO(55)UNDECANE810DIONE
C1CCC2(CC1)OC(=O)C(=CC3=CC=C(C=C3)Br)C(=O)O2
InChI=1SC16H15BrO4c17126411(5712)101314(18)2016(2115(13)19)8213916h4710H1389H2
MFCD01970608
ZINC000004501835
ZINC04501835
ZINC4501835
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