Vitas-M small molecule compound
(2Z)-(4,6-dimethyl-1-benzofuran-3(2H)-ylidene)ethanoate
Catalog ID
STL058232
SMILES [O-]C(=O)/C=C/1\COc2c1c(C)cc(c2)C
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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 C12H11O3 MW 203.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12O3/c1-7-3-8(2)12-9(5-11(13)14)6-15-10(12)4-7/h3-5H,6H2,1-2H3,(H,13,14)/p-1/b9-5+InChIKey
KFKZRZIHMQAENL-WEVVVXLNSA-MSynonyms
(2Z)(46dimethyl1benzofuran3(2H)ylidene)ethanoate
(2Z)2(46DIMETHYL1BENZOFURAN3YLIDENE)ACETATE
(O)C(=O)C=C1COc2c1c(C)cc(c2)C
(O)C(=O)C=C1COc2c1c(C)cc(c2)C(Na+)
2(46DIMETHYL2HYDROBENZO(B)FURAN3YLIDENE)ACETICACID
CC1=CC(=C2C(=CC(=O)(O))COC2=C1)C
InChI=1SC12H12O3c1738(2)129(511(13)14)61510(12)47h35H6H212H3(H1314)p1b95+
sodium(Z)2(46dimethylbenzofuran3(2H)ylidene)acetate
ZINC000005266230
ZINC05266230
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