Vitas-M small molecule compound

ethyl 2-{[(4-methoxy-3-methylphenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL113419
SMILES CCOC(=O)c1c(sc2c1CCCC2)NS(=O)(=O)c1ccc(c(c1)C)OC

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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 C19H23NO5S2 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO5S2/c1-4-25-19(21)17-14-7-5-6-8-16(14)26-18(17)20-27(22,23)13-9-10-15(24-3)12(2)11-13/h9-11,20H,4-8H2,1-3H3
InChIKey
OOMLWNUUSZDRIR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC(=C(C=C3)OC)C
ethyl2(((4methoxy3methylphenyl)sulfonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4methoxy3methylphenyl)sulfonylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H23NO5S2c142519(21)1714756816(14)2618(17)2027(2223)1391015(243)12(2)1113h91120H48H213H3
MFCD04091514
ZINC000000639839
ZINC00639839
ZINC639839

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Available files

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