Vitas-M small molecule compound
(4Z)-4-benzylidene-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one
Catalog ID
STL466341
SMILES COc1cc2c(cc1OC)COC(=O)/C/2=C\c1ccccc1
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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 C18H16O4 MW 296.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16O4/c1-20-16-9-13-11-22-18(19)15(14(13)10-17(16)21-2)8-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b15-8-InChIKey
WDQGZEVWJBJNIE-NVNXTCNLSA-NSynonyms
(4Z)4benzylidene67dimethoxy14dihydro3Hisochromen3one
(4Z)4BENZYLIDENE67DIMETHOXY1HISOCHROMEN3ONE
(E)4benzylidene67dimethoxyisochroman3one
COC1=C(C=C2C(=C1)COC(=O)C2=CC3=CC=CC=C3)OC
COc1cc2c(cc1OC)COC(=O)C2=Cc1ccccc1
InChI=1SC18H16O4c12016913112218(19)15(14(13)1017(16)212)8126435712h310H11H212H3b158
MFCD13969064
ZINC000000242619
ZINC00242619
ZINC242619
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