Vitas-M small molecule compound

3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]propyl 2-methoxybenzoate

Catalog ID
STK180103
SMILES COc1ccccc1C(=O)OCCCNC1=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 C18H18N2O5S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5S/c1-24-15-9-4-2-7-13(15)18(21)25-12-6-11-19-17-14-8-3-5-10-16(14)26(22,23)20-17/h2-5,7-10H,6,11-12H2,1H3,(H,19,20)
InChIKey
QJVKTZOFZVQYTE-UHFFFAOYSA-N
Synonyms

3((11DIOXIDO12BENZOTHIAZOL3YL)AMINO)PROPYL2METHOXYBENZOATE
3((11DIOXO12BENZOTHIAZOL3YL)AMINO)PROPYL2METHOXYBENZOATE
COC1=CC=CC=C1C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32
InChI=1SC18H18N2O5Sc12415942713(15)18(21)25126111917148351016(14)26(2223)2017h25710H61112H21H3(H1920)
MFCD01422948
ZINC000004181199
ZINC04181199
ZINC4181199

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Available files

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