Vitas-M small molecule compound

(2E,4E)-3-methyl-4-(pyridin-3-ylmethylidene)pent-2-enedioate

Catalog ID
STL059211
SMILES [O-]C(=O)/C=C(/C(=C\c1cccnc1)/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 C12H9NO4 MW 231.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11NO4/c1-8(5-11(14)15)10(12(16)17)6-9-3-2-4-13-7-9/h2-7H,1H3,(H,14,15)(H,16,17)/p-2/b8-5+,10-6+
InChIKey
ZCEHWVZTWVHJOZ-YLDLMLGBSA-L
Synonyms

(2E4E)3methyl4(pyridin3ylmethylidene)pent2enedioate
(E4E)3METHYL4(PYRIDIN3YLMETHYLIDENE)PENT2ENEDIOATE
(O)C(=O)C=C(C(=Cc1cccnc1)C(=O)(O))C
(O)C(=O)C=C(C(=Cc1cccnc1)C(=O)(O))C(Na+)(Na+)
CC(=CC(=O)(O))C(=CC1=CN=CC=C1)C(=O)(O)
InChI=1SC12H11NO4c18(511(14)15)10(12(16)17)693241379h27H1H3(H1415)(H1617)p2b85+106+
sodium(2E4E)3methyl4(pyridin3ylmethylene)pent2enedioate
ZINC000004811671
ZINC04811671

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Available files

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