Vitas-M small molecule compound
(2E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one
Catalog ID
STK693239
SMILES COc1c(/C=C/C(=O)c2ccccc2)cc(c2c1OCO2)OC
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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 C18H16O5 MW 312.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16O5/c1-20-15-10-13(16(21-2)18-17(15)22-11-23-18)8-9-14(19)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b9-8+InChIKey
HMQNPENKFSRMJW-CMDGGOBGSA-NSynonyms
(2E)3(47DIMETHOXY(2HBENZO(D)13DIOXOLEN5YL))1PHENYLPROP2EN1ONE
(2E)3(47dimethoxy13benzodioxol5yl)1phenylprop2en1one
(E)3(47dimethoxy13benzodioxol5yl)1phenylprop2en1one
COC1=C2C(=C(C(=C1)C=CC(=O)C3=CC=CC=C3)OC)OCO2
COc1c(C=CC(=O)c2ccccc2)cc(c2c1OCO2)OC
InChI=1SC18H16O5c120151013(16(212)1817(15)22112318)8914(19)126435712h310H11H212H3b98+
MFCD10039335
ZINC000015106069
ZINC15106069
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