Vitas-M small molecule compound

2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

Catalog ID
STK286286
SMILES Clc1ccc(cc1)Sc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)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 C21H12ClNO4S MW 409.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12ClNO4S/c22-13-2-6-15(7-3-13)28-16-8-4-14(5-9-16)23-19(24)17-10-1-12(21(26)27)11-18(17)20(23)25/h1-11H,(H,26,27)
InChIKey
IUFAIGQXBYZYJP-UHFFFAOYSA-N
Synonyms

2(4((4chlorophenyl)sulfanyl)phenyl)13dioxo23dihydro1Hisoindole5carboxylicacid
2(4(4CHLOROPHENYL)SULFANYLPHENYL)13DIOXOISOINDOLE5CARBOXYLICACID
C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)SC4=CC=C(C=C4)Cl
InChI=1SC21H12ClNO4Sc22132615(7313)28168414(5916)2319(24)1710112(21(26)27)1118(17)20(23)25h111H(H2627)
MFCD03353391
ZINC000006332952
ZINC6332952

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Available files

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