Vitas-M small molecule compound

ethyl 3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-phenylthiophene-2-carboxylate

Catalog ID
STL095594
SMILES CCOC(=O)c1scc(c1S(=O)(=O)N1CCN(CC1)c1cc(C)ccc1C)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)20-8-6-5-7-9-20)33(29,30)27-14-12-26(13-15-27)22-16-18(2)10-11-19(22)3/h5-11,16-17H,4,12-15H2,1-3H3
InChIKey
IJJURFYXULWZMM-UHFFFAOYSA-N
Synonyms
932519-79-4
932519794
CCOC(=O)C1=C(C(=CS1)C2=CC=CC=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C
ethyl3((4(25dimethylphenyl)piperazin1yl)sulfonyl)4phenylthiophene2carboxylate
ethyl3(4(25dimethylphenyl)piperazin1yl)sulfonyl4phenylthiophene2carboxylate
InChI=1SC25H28N2O4S2c143125(28)2324(21(173223)208657920)33(2930)27141226(131527)221618(2)101119(22)3h5111617H41215H213H3
MFCD08539948
ZINC000009645937
ZINC09645937
ZINC9645937

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Available files

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