Vitas-M small molecule compound

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

Catalog ID
STL403049
SMILES CCOC(=O)c1c(sc2c1CCC(C2)C)NS(=O)(=O)c1cnn(c1)CC

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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 C17H23N3O4S2 MW 397.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N3O4S2/c1-4-20-10-12(9-18-20)26(22,23)19-16-15(17(21)24-5-2)13-7-6-11(3)8-14(13)25-16/h9-11,19H,4-8H2,1-3H3
InChIKey
IHSUAJDSEGLAHF-UHFFFAOYSA-N
Synonyms
1005620-27-8
1005620278
CCN1C=C(C=N1)S(=O)(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC
ethyl2(((1ethyl1Hpyrazol4yl)sulfonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((1ethylpyrazol4yl)sulfonylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC17H23N3O4S2c14201012(91820)26(2223)191615(17(21)2452)137611(3)814(13)2516h91119H48H213H3
MFCD04059290
ZINC000006229056
ZINC000006229058

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Available files

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