Vitas-M small molecule compound

ethyl 3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-3-(4-methylphenyl)propanoate

Catalog ID
STK769322
SMILES CCOC(=O)CC(c1ccc(cc1)C)NS(=O)(=O)c1cccc2c1nsn2

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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 C18H19N3O4S2 MW 405.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O4S2/c1-3-25-17(22)11-15(13-9-7-12(2)8-10-13)21-27(23,24)16-6-4-5-14-18(16)20-26-19-14/h4-10,15,21H,3,11H2,1-2H3
InChIKey
HJFSROJXSJUUPO-UHFFFAOYSA-N
Synonyms

CCOC(=O)CC(C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=CC3=NSN=C32
ethyl3((213benzothiadiazol4ylsulfonyl)amino)3(4methylphenyl)propanoate
ETHYL3(213BENZOTHIADIAZOL4YLSULFONYLAMINO)3(4METHYLPHENYL)PROPANOATE
InChI=1SC18H19N3O4S2c132517(22)1115(139712(2)81013)2127(2324)166451418(16)20261914h4101521H311H212H3
MFCD03408893
ZINC000004594051
ZINC000004594052

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Available files

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