Vitas-M small molecule compound

dimethyl 5-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzene-1,3-dicarboxylate

Catalog ID
STL364435
SMILES COC(=O)c1cc(cc(c1)C(=O)OC)NC1=NS(=O)(=O)c2c1cccc2

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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 C17H14N2O6S MW 374.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O6S/c1-24-16(20)10-7-11(17(21)25-2)9-12(8-10)18-15-13-5-3-4-6-14(13)26(22,23)19-15/h3-9H,1-2H3,(H,18,19)
InChIKey
BVJKYODLBZNUED-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC(=C1)NC2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC
dimethyl5((11dioxido12benzothiazol3yl)amino)benzene13dicarboxylate
DIMETHYL5((11DIOXO12BENZOTHIAZOL3YL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC17H14N2O6Sc12416(20)10711(17(21)252)912(810)181513534614(13)26(2223)1915h39H12H3(H1819)
MFCD07400496
ZINC000004973288
ZINC04973288
ZINC4973288

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Available files

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