Vitas-M small molecule compound

ethyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate

Catalog ID
STL364434
SMILES CCOC(=O)c1cccc(c1)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 C16H14N2O4S MW 330.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O4S/c1-2-22-16(19)11-6-5-7-12(10-11)17-15-13-8-3-4-9-14(13)23(20,21)18-15/h3-10H,2H2,1H3,(H,17,18)
InChIKey
KDPHPBJOJRAEKU-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC(=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32
ethyl3((11dioxido12benzothiazol3yl)amino)benzoate
ETHYL3((11DIOXO12BENZOTHIAZOL3YL)AMINO)BENZOATE
ETHYL3((11DIOXOBENZO(D)12THIAZOLIN3YL)AMINO)BENZOATE
InChI=1SC16H14N2O4Sc122216(19)1165712(1011)171513834914(13)23(2021)1815h310H2H21H3(H1718)
MFCD03622523
ZINC000000148222
ZINC00148222
ZINC148222

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Available files

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