Vitas-M small molecule compound

3,5-bis{[(3-methylphenoxy)acetyl]amino}benzoic acid

Catalog ID
STK042597
SMILES O=C(Nc1cc(NC(=O)COc2cccc(c2)C)cc(c1)C(=O)O)COc1cccc(c1)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 C25H24N2O6 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O6/c1-16-5-3-7-21(9-16)32-14-23(28)26-19-11-18(25(30)31)12-20(13-19)27-24(29)15-33-22-8-4-6-17(2)10-22/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)
InChIKey
VSYZDFLBXSVRGI-UHFFFAOYSA-N
Synonyms

35BIS(((3METHYLPHENOXY)ACETYL)AMINO)BENZOICACID
35BIS((2(3METHYLPHENOXY)ACETYL)AMINO)BENZOICACID
CC1=CC(=CC=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)COC3=CC=CC(=C3)C
InChI=1SC25H24N2O6c11653721(916)321423(28)26191118(25(30)31)1220(1319)2724(29)15332284617(2)1022h313H1415H212H3(H2628)(H2729)(H3031)
MFCD01973876
O=C(Nc1cc(NC(=O)COc2cccc(c2)C)cc(c1)C(=O)O)COc1cccc(c1)C
STK042597
ZINC000009425584
ZINC9425584

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Available files

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