Vitas-M small molecule compound

ethyl 2-{[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL391277
SMILES CCOC(=O)c1c(sc2c1CCCC2)NS(=O)(=O)c1cn(nc1C)C

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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 C16H21N3O4S2 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O4S2/c1-4-23-16(20)14-11-7-5-6-8-12(11)24-15(14)18-25(21,22)13-9-19(3)17-10(13)2/h9,18H,4-8H2,1-3H3
InChIKey
SXRKFANRMGZPLA-UHFFFAOYSA-N
Synonyms
1005627-48-4
1005627484
CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CN(N=C3C)C
ethyl2(((13dimethyl1Hpyrazol4yl)sulfonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((13dimethylpyrazol4yl)sulfonylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC16H21N3O4S2c142316(20)1411756812(11)2415(14)1825(2122)13919(3)1710(13)2h918H48H213H3
MFCD04134773
ZINC000002804112
ZINC02804112
ZINC2804112

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Available files

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