Vitas-M small molecule compound

5-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}benzene-1,3-dicarboxylic acid

Catalog ID
STK224473
SMILES O=C(C(Oc1ccc(cc1C)Cl)C)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 C18H16ClNO6 MW 377.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO6/c1-9-5-13(19)3-4-15(9)26-10(2)16(21)20-14-7-11(17(22)23)6-12(8-14)18(24)25/h3-8,10H,1-2H3,(H,20,21)(H,22,23)(H,24,25)
InChIKey
WVSYPFUKZQSKII-UHFFFAOYSA-N
Synonyms

5(((2R)2(4CHLORO2METHYLPHENOXY)PROPANOYL)AMINO)BENZENE13DICARBOXYLICACID
5(((2S)2(4CHLORO2METHYLPHENOXY)PROPANOYL)AMINO)BENZENE13DICARBOXYLICACID
5((2(4chloro2methylphenoxy)propanoyl)amino)benzene13dicarboxylicacid
5(2(4CHLORO2METHYLPHENOXY)PROPANOYLAMINO)BENZENE13DICARBOXYLICACID
CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O
InChI=1SC18H16ClNO6c19513(19)3415(9)2610(2)16(21)2014711(17(22)23)612(814)18(24)25h3810H12H3(H2021)(H2223)(H2425)
MFCD03780329
ZINC000004826472
ZINC000004826479

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Available files

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