Vitas-M small molecule compound

4-{[2-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acid

Catalog ID
STK065297
SMILES Cc1ccc(c(c1)N1C(=O)c2c(C1=O)cc(cc2)S(=O)(=O)c1ccc(cc1)C(=O)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 C22H15NO7S MW 437.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15NO7S/c1-12-2-9-19(24)18(10-12)23-20(25)16-8-7-15(11-17(16)21(23)26)31(29,30)14-5-3-13(4-6-14)22(27)28/h2-11,24H,1H3,(H,27,28)
InChIKey
WXNUNGBWYPSUNY-UHFFFAOYSA-N
Synonyms

4((2(2HYDROXY5METHYLPHENYL)13DIOXO23DIHYDRO1HISOINDOL5YL)SULFONYL)BENZOICACID
4((2(2HYDROXY5METHYLPHENYL)13DIOXOBENZO(C)AZOLIDIN5YL)SULFONYL)BENZOICACID
4(2(2HYDROXY5METHYLPHENYL)13DIOXOISOINDOL5YL)SULFONYLBENZOICACID
CC1=CC(=C(C=C1)O)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O
Cc1ccc(c(c1)N1C(=O)c2c(C1=O)cc(cc2)S(=O)(=O)c1ccc(cc1)C(=O)O)O
InChI=1SC22H15NO7Sc1122919(24)18(1012)2320(25)168715(1117(16)21(23)26)31(2930)145313(4614)22(27)28h21124H1H3(H2728)
MFCD01137724
STK065297
ZINC000006146036
ZINC6146036

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.