Vitas-M small molecule compound

3-chloro-N-{2-[4-(methylsulfonyl)piperazin-1-yl]phenyl}-1-benzothiophene-2-carboxamide

Catalog ID
STK344456
SMILES O=C(c1sc2c(c1Cl)cccc2)Nc1ccccc1N1CCN(CC1)S(=O)(=O)C

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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 C20H20ClN3O3S2 MW 449.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O3S2/c1-29(26,27)24-12-10-23(11-13-24)16-8-4-3-7-15(16)22-20(25)19-18(21)14-6-2-5-9-17(14)28-19/h2-9H,10-13H2,1H3,(H,22,25)
InChIKey
POGTYBBOSRFZFJ-UHFFFAOYSA-N
Synonyms
712290-54-5
(3CHLOROBENZO(B)THIOPHEN2YL)N(2(4(METHYLSULFONYL)PIPERAZINYL)PHENYL)CARBOXAMIDE
3CHLOROBENZO(B)THIOPHENE2CARBOXYLICACID(2(4METHANESULFONYLPIPERAZIN1YL)PHENYL)AMIDE
3CHLORON(2(4(METHYLSULFONYL)1PIPERAZINYL)PHENYL)1BENZOTHIOPHENE2CARBOXAMIDE
3chloroN(2(4(methylsulfonyl)piperazin1yl)phenyl)1benzothiophene2carboxamide
3chloroN(2(4(methylsulfonyl)piperazin1yl)phenyl)benzo(b)thiophene2carboxamide
3CHLORON(2(4METHYLSULFONYLPIPERAZIN1YL)PHENYL)1BENZOTHIOPHENE2CARBOXAMIDE
712290545
CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4S3)Cl
InChI=1SC20H20ClN3O3S2c129(2627)24121023(111324)16843715(16)2220(25)1918(21)14625917(14)2819h29H1013H21H3(H2225)
MFCD05238732
ZINC000000624262
ZINC00624262
ZINC624262

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Available files

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