Vitas-M small molecule compound
(1E,4E)-1,5-bis(7-methoxy-1,3-benzodioxol-5-yl)penta-1,4-dien-3-one
Catalog ID
STL434521
SMILES COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c3c(c2)OCO3)cc2c1OCO2
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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 C21H18O7 MW 382.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18O7/c1-23-16-7-13(9-18-20(16)27-11-25-18)3-5-15(22)6-4-14-8-17(24-2)21-19(10-14)26-12-28-21/h3-10H,11-12H2,1-2H3/b5-3+,6-4+InChIKey
ANMSMNWTKOXGBL-GGWOSOGESA-NSynonyms
(1E4E)15bis(7methoxy13benzodioxol5yl)penta14dien3one
COC1=CC(=CC2=C1OCO2)C=CC(=O)C=CC3=CC4=C(C(=C3)OC)OCO4
COc1cc(C=CC(=O)C=Cc2cc(OC)c3c(c2)OCO3)cc2c1OCO2
InChI=1SC21H18O7c12316713(91820(16)27112518)3515(22)6414817(242)2119(1014)26122821h310H1112H212H3b53+64+
MFCD30711175
ZINC000096335769
ZINC96335769
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