Vitas-M small molecule compound

diethyl 5-[(2,1,3-benzoxadiazol-4-ylsulfonyl)amino]benzene-1,3-dicarboxylate

Catalog ID
STK465781
SMILES CCOC(=O)c1cc(cc(c1)C(=O)OCC)NS(=O)(=O)c1cccc2c1non2

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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 C18H17N3O7S MW 419.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O7S/c1-3-26-17(22)11-8-12(18(23)27-4-2)10-13(9-11)21-29(24,25)15-7-5-6-14-16(15)20-28-19-14/h5-10,21H,3-4H2,1-2H3
InChIKey
OLTCVCVHRBTIJG-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC3=NON=C32)C(=O)OCC
diethyl5((213benzoxadiazol4ylsulfonyl)amino)benzene13dicarboxylate
diethyl5(213benzoxadiazol4ylsulfonylamino)benzene13dicarboxylate
ETHYL5((BENZO(C)125OXADIAZOL4YLSULFONYL)AMINO)3(ETHOXYCARBONYL)BENZOATE
InChI=1SC18H17N3O7Sc132617(22)11812(18(23)2742)1013(911)2129(2425)157561416(15)20281914h51021H34H212H3
MFCD06022919
ZINC000017091797
ZINC17091797

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Available files

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