Vitas-M small molecule compound
5-(1,3-benzodioxol-5-ylmethylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-dione
Catalog ID
STK868794
SMILES CCCCC1(C)OC(=O)/C(=C/c2ccc3c(c2)OCO3)/C(=O)O1
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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 C17H18O6 MW 318.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18O6/c1-3-4-7-17(2)22-15(18)12(16(19)23-17)8-11-5-6-13-14(9-11)21-10-20-13/h5-6,8-9H,3-4,7,10H2,1-2H3/b12-8-InChIKey
WIOLXOCUYOUAPU-WQLSENKSSA-NSynonyms
403670-32-6403670326
5(13benzodioxol5ylmethylidene)2butyl2methyl13dioxane46dione
5(benzo(d)(13)dioxol5ylmethylene)2butyl2methyl13dioxane46dione
CCCCC1(C)OC(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)O1
MFCD02636754
ZINC000002120884
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