Vitas-M small molecule compound

methyl 2-[({3-[(1,1-dioxidotetrahydrothiophen-3-yl)sulfonyl]phenyl}sulfonyl)amino]benzoate

Catalog ID
STK655671
SMILES COC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)S(=O)(=O)C1CCS(=O)(=O)C1

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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 C18H19NO8S3 MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO8S3/c1-27-18(20)16-7-2-3-8-17(16)19-30(25,26)14-6-4-5-13(11-14)29(23,24)15-9-10-28(21,22)12-15/h2-8,11,15,19H,9-10,12H2,1H3
InChIKey
HEOWIEJSHPZRTK-UHFFFAOYSA-N
Synonyms
1144431-18-4
1144431184
COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3CCS(=O)(=O)C3
InChI=1SC18H19NO8S3c12718(20)16723817(16)1930(2526)1464513(1114)29(2324)1591028(2122)1215h28111519H91012H21H3
methyl2(((3((11dioxidotetrahydrothiophen3yl)sulfonyl)phenyl)sulfonyl)amino)benzoate
methyl2((3(11dioxothiolan3yl)sulfonylphenyl)sulfonylamino)benzoate
methyl2(3((11dioxidotetrahydrothiophen3yl)sulfonyl)phenylsulfonamido)benzoate
MFCD12212076
ZINC000031773022
ZINC000031773024

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Available files

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