Vitas-M small molecule compound
8-[(1E)-3-(2-hydroxy-4,5-dimethylphenyl)-3-oxoprop-1-en-1-yl]-4H-1,3-benzodioxine-6-carboxylic acid
Catalog ID
STL512686
SMILES OC(=O)c1cc(/C=C/C(=O)c2cc(C)c(cc2O)C)c2c(c1)COCO2
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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 C20H18O6 MW 354.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18O6/c1-11-5-16(18(22)6-12(11)2)17(21)4-3-13-7-14(20(23)24)8-15-9-25-10-26-19(13)15/h3-8,22H,9-10H2,1-2H3,(H,23,24)/b4-3+InChIKey
QPXPMZIQVSHHIV-ONEGZZNKSA-NSynonyms
170512-81-9(E)8(3(2hydroxy45dimethylphenyl)3oxoprop1en1yl)4Hbenzo(d)(13)dioxine6carboxylicacid
170512819
5930425
8((~(E))3(2hydroxy45dimethylphenyl)3oxoprop1enyl)4~(H)13benzodioxine6carboxylicacid
8((1E)3(2hydroxy45dimethylphenyl)3oxoprop1en1yl)4H13benzodioxine6carboxylicacid
8((E)3(2HYDROXY45DIMETHYLPHENYL)3OXOPROP1ENYL)4H13BENZODIOXINE6CARBOXYLICACID
InChI=1SC20H18O6c111516(18(22)612(11)2)17(21)4313714(20(23)24)815925102619(13)15h3822H910H212H3(H2324)b43+
MFCD00710007
OC(=O)c1cc(C=CC(=O)c2cc(C)c(cc2O)C)c2c(c1)COCO2
ZINC000004026679
ZINC4026679
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