Vitas-M small molecule compound

5-[(2E,4E)-hexa-2,4-dienoylamino]benzene-1,3-dicarboxylic acid

Catalog ID
STK156017
SMILES C/C=C/C=C/C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O

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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 C14H13NO5 MW 275.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13NO5/c1-2-3-4-5-12(16)15-11-7-9(13(17)18)6-10(8-11)14(19)20/h2-8H,1H3,(H,15,16)(H,17,18)(H,19,20)/b3-2+,5-4+
InChIKey
RBJKJZIIJYCRQH-MQQKCMAXSA-N
Synonyms

5(((2E4E)HEXA24DIENOYL)AMINO)BENZENE13DICARBOXYLICACID
5((2E4E)HEXA24DIENOYLAMINO)BENZENE13DICARBOXYLICACID
5HEXA24DIENOYLAMINOISOPHTHALICACID
CC=CC=CC(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O
CC=CC=CC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O
InChI=1SC14H13NO5c1234512(16)151179(13(17)18)610(811)14(19)20h28H1H3(H1516)(H1718)(H1920)b32+54+
MFCD00424117
ZINC000003156132
ZINC3156132

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Available files

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