Vitas-M small molecule compound

1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid

Catalog ID
STK248725
SMILES O=C1N(c2nccs2)C(=O)c2c1cc(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 C12H6N2O4S MW 274.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H6N2O4S/c15-9-7-2-1-6(11(17)18)5-8(7)10(16)14(9)12-13-3-4-19-12/h1-5H,(H,17,18)
InChIKey
FEBGJFDHHPHOII-UHFFFAOYSA-N
Synonyms

13dioxo2(13thiazol2yl)23dihydro1Hisoindole5carboxylicacid
13DIOXO2(13THIAZOL2YL)BENZO(C)AZOLIDINE5CARBOXYLICACID
13DIOXO2(13THIAZOL2YL)ISOINDOLE5CARBOXYLICACID
13DIOXO2THIAZOL2YL23DIHYDRO1HISOINDOLE5CARBOXYLICACID
C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)C3=NC=CS3
InChI=1SC12H6N2O4Sc1597216(11(17)18)58(7)10(16)14(9)1213341912h15H(H1718)
MFCD00425077
ZINC000000192819
ZINC192819

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Available files

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