Vitas-M small molecule compound
(2E,4E)-4-benzylidene-3-methylpent-2-enedioate
Catalog ID
STL326821
SMILES [O-]C(=O)/C=C(/C(=C\c1ccccc1)/C(=O)[O-])\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 C13H10O4 MW 230.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12O4/c1-9(7-12(14)15)11(13(16)17)8-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)(H,16,17)/p-2/b9-7+,11-8+InChIKey
MPVJIYIIVIHOMK-BIZFVBGRSA-LSynonyms
(2E4E)4benzylidene3methylpent2enedioate
(E4E)4BENZYLIDENE3METHYLPENT2ENEDIOATE
(O)C(=O)C=C(C(=Cc1ccccc1)C(=O)(O))C
(O)C(=O)C=C(C(=Cc1ccccc1)C(=O)(O))C(Na+)(Na+)
CC(=CC(=O)(O))C(=CC1=CC=CC=C1)C(=O)(O)
InChI=1SC13H12O4c19(712(14)15)11(13(16)17)8105324610h28H1H3(H1415)(H1617)p2b97+118+
MFCD00634487
sodium(2E4E)4benzylidene3methylpent2enedioate
ZINC000013764827
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