Vitas-M small molecule compound

ethyl 2-{[N-(3-acetylphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL114244
SMILES CCOC(=O)c1c(NC(=O)CN(S(=O)(=O)C)c2cccc(c2)C(=O)C)sc2c1CCCC2

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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 C22H26N2O6S2 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O6S2/c1-4-30-22(27)20-17-10-5-6-11-18(17)31-21(20)23-19(26)13-24(32(3,28)29)16-9-7-8-15(12-16)14(2)25/h7-9,12H,4-6,10-11,13H2,1-3H3,(H,23,26)
InChIKey
ZMWWXHYOBDHCBQ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=CC=CC(=C3)C(=O)C)S(=O)(=O)C
ethyl2((2(3acetylNmethylsulfonylanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((N(3acetylphenyl)N(methylsulfonyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H26N2O6S2c143022(27)201710561118(17)3121(20)2319(26)1324(32(328)29)1697815(1216)14(2)25h7912H46101113H213H3(H2326)
MFCD05835932
ZINC000001059589
ZINC01059589
ZINC1059589

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Available files

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