Vitas-M small molecule compound
3-(5-bromo-2,4-dimethoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
Catalog ID
STK392815
SMILES COc1cc(OC)c(cc1C=C1C(=O)OC2(OC1=O)CCCCC2)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 C18H19BrO6 MW 411.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrO6/c1-22-14-10-15(23-2)13(19)9-11(14)8-12-16(20)24-18(25-17(12)21)6-4-3-5-7-18/h8-10H,3-7H2,1-2H3InChIKey
GTRCWNLHSUECIS-UHFFFAOYSA-NSynonyms
3((5bromo24dimethoxyphenyl)methylidene)15dioxaspiro(55)undecane24dione
3(5bromo24dimethoxybenzylidene)15dioxaspiro(55)undecane24dione
9((5BROMO24DIMETHOXYPHENYL)METHYLIDENE)711DIOXASPIRO(55)UNDECANE810DIONE
COC1=CC(=C(C=C1C=C2C(=O)OC3(CCCCC3)OC2=O)Br)OC
InChI=1SC18H19BrO6c122141015(232)13(19)911(14)81216(20)2418(2517(12)21)6435718h810H37H212H3
MFCD01970593
ZINC000000709401
ZINC00709401
ZINC709401
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