Vitas-M small molecule compound
(2E)-1-(2-hydroxy-4-methoxyphenyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-en-1-one
Catalog ID
STK694366
SMILES COc1ccc(c(c1)O)C(=O)/C=C/c1cc(OC)c2c(c1)OCO2
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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 C18H16O6 MW 328.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16O6/c1-21-12-4-5-13(15(20)9-12)14(19)6-3-11-7-16(22-2)18-17(8-11)23-10-24-18/h3-9,20H,10H2,1-2H3/b6-3+InChIKey
FTCRQVKGKOGNBQ-ZZXKWVIFSA-NSynonyms
(2E)1(2hydroxy4methoxyphenyl)3(7methoxy13benzodioxol5yl)prop2en1one
(E)1(2hydroxy4methoxyphenyl)3(7methoxy13benzodioxol5yl)prop2en1one
1(2HYDROXY4METHOXYPHENYL)3(7METHOXY2H13BENZODIOXOL5YL)PROP2EN1ONE
COC1=CC(=C(C=C1)C(=O)C=CC2=CC3=C(C(=C2)OC)OCO3)O
COc1ccc(c(c1)O)C(=O)C=Cc1cc(OC)c2c(c1)OCO2
InChI=1SC18H16O6c121124513(15(20)912)14(19)6311716(222)1817(811)23102418h3920H10H212H3b63+
MFCD12034610
ZINC000035324267
ZINC35324267
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