Vitas-M small molecule compound

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

Catalog ID
STK170081
SMILES CCOC(=O)c1c(NC(=O)CN(S(=O)(=O)C)c2ccc(cc2)Cl)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 C20H23ClN2O5S2 MW 471.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O5S2/c1-3-28-20(25)18-15-6-4-5-7-16(15)29-19(18)22-17(24)12-23(30(2,26)27)14-10-8-13(21)9-11-14/h8-11H,3-7,12H2,1-2H3,(H,22,24)
InChIKey
CPUOSLREBFFQSC-UHFFFAOYSA-N
Synonyms
664315-75-7
664315757
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=CC=C(C=C3)Cl)S(=O)(=O)C
ethyl2((2(4chloroNmethylsulfonylanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((N(4chlorophenyl)N(methylsulfonyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H23ClN2O5S2c132820(25)1815645716(15)2919(18)2217(24)1223(30(226)27)1410813(21)91114h811H3712H212H3(H2224)
MFCD03862521
ZINC000000982742
ZINC00982742
ZINC982742

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Available files

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