Vitas-M small molecule compound

ethyl 3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-phenylthiophene-2-carboxylate

Catalog ID
STL095596
SMILES CCOC(=O)c1scc(c1S(=O)(=O)N1CCN(CC1)c1cccc(c1C)C)c1ccccc1

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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 C25H28N2O4S2 MW 484.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4S2/c1-4-31-25(28)23-24(21(17-32-23)20-10-6-5-7-11-20)33(29,30)27-15-13-26(14-16-27)22-12-8-9-18(2)19(22)3/h5-12,17H,4,13-16H2,1-3H3
InChIKey
GJWAMRWMNHYMEN-UHFFFAOYSA-N
Synonyms
899724-36-8
899724368
CCOC(=O)C1=C(C(=CS1)C2=CC=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C
ethyl3((4(23dimethylphenyl)piperazin1yl)sulfonyl)4phenylthiophene2carboxylate
ethyl3(4(23dimethylphenyl)piperazin1yl)sulfonyl4phenylthiophene2carboxylate
InChI=1SC25H28N2O4S2c143125(28)2324(21(173223)20106571120)33(2930)27151326(141627)22128918(2)19(22)3h51217H41316H213H3
MFCD08141572
ZINC000009645940
ZINC09645940
ZINC9645940

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Available files

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