Vitas-M small molecule compound
3-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-hydroxy-6-methyl-2H-pyran-2-one
Catalog ID
STL512499
SMILES Cc1cc(O)c(c(=O)o1)C(=O)/C=C/c1ccc2c(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 C16H12O6 MW 300.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12O6/c1-9-6-12(18)15(16(19)22-9)11(17)4-2-10-3-5-13-14(7-10)21-8-20-13/h2-7,18H,8H2,1H3/b4-2+InChIKey
BQSRHXRJUCISMQ-DUXPYHPUSA-NSynonyms
1549997-05-8(E)3(3(BENZO(D)(13)DIOXOL5YL)ACRYLOYL)4HYDROXY6METHYL2HPYRAN2ONE
135580394
1549997058
3((~(E))3(13benzodioxol5yl)prop2enoyl)4hydroxy6methylpyran2one
3((2E)3(13benzodioxol5yl)prop2enoyl)4hydroxy6methyl2Hpyran2one
3((E)3(13BENZODIOXOL5YL)PROP2ENOYL)2HYDROXY6METHYLPYRAN4ONE
Cc1cc(O)c(c(=O)o1)C(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC16H12O6c19612(18)15(16(19)229)11(17)4210351314(710)2182013h2718H8H21H3b42+
MFCD00542834
ZINC000100742359
ZINC100742359
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