Vitas-M small molecule compound

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

Catalog ID
STL095597
SMILES CCOC(=O)c1scc(c1S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl)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 C23H23ClN2O4S2 MW 491.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN2O4S2/c1-2-30-23(27)21-22(20(16-31-21)17-6-4-3-5-7-17)32(28,29)26-14-12-25(13-15-26)19-10-8-18(24)9-11-19/h3-11,16H,2,12-15H2,1H3
InChIKey
OMDQCAMJVDGWCZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C(=CS1)C2=CC=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl
ethyl3((4(4chlorophenyl)piperazin1yl)sulfonyl)4phenylthiophene2carboxylate
ethyl3(4(4chlorophenyl)piperazin1yl)sulfonyl4phenylthiophene2carboxylate
InChI=1SC23H23ClN2O4S2c123023(27)2122(20(163121)176435717)32(2829)26141225(131526)1910818(24)91119h31116H21215H21H3
MFCD18788289
ZINC000008605058
ZINC8605058

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Available files

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