Vitas-M small molecule compound

3,4-bis{[(3,4-dimethylphenoxy)acetyl]amino}benzoic acid

Catalog ID
STK223798
SMILES O=C(Nc1cc(ccc1NC(=O)COc1ccc(c(c1)C)C)C(=O)O)COc1ccc(c(c1)C)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 C27H28N2O6 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O6/c1-16-5-8-21(11-18(16)3)34-14-25(30)28-23-10-7-20(27(32)33)13-24(23)29-26(31)15-35-22-9-6-17(2)19(4)12-22/h5-13H,14-15H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)
InChIKey
MJJIKFLNNDVNAZ-UHFFFAOYSA-N
Synonyms

34bis(((34dimethylphenoxy)acetyl)amino)benzoicacid
34BIS((2(34DIMETHYLPHENOXY)ACETYL)AMINO)BENZOICACID
CC1=C(C=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)COC3=CC(=C(C=C3)C)C)C
InChI=1SC27H28N2O6c1165821(1118(16)3)341425(30)282310720(27(32)33)1324(23)2926(31)1535229617(2)19(4)1222h513H1415H214H3(H2830)(H2931)(H3233)
MFCD03321617
ZINC000002837079
ZINC2837079

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Available files

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