Vitas-M small molecule compound
methyl 2-[({4-[(2,5-dichlorophenyl)sulfonyl]piperazin-1-yl}carbonothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK489471
SMILES COC(=O)c1c(NC(=S)N2CCN(CC2)S(=O)(=O)c2cc(Cl)ccc2Cl)sc2c1CCC(C2)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 C22H25Cl2N3O4S3 MW 562.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25Cl2N3O4S3/c1-13-3-5-15-17(11-13)33-20(19(15)21(28)31-2)25-22(32)26-7-9-27(10-8-26)34(29,30)18-12-14(23)4-6-16(18)24/h4,6,12-13H,3,5,7-11H2,1-2H3,(H,25,32)InChIKey
DIALRALKTNGNDO-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl
InChI=1SC22H25Cl2N3O4S3c113351517(1113)3320(19(15)21(28)312)2522(32)267927(10826)34(2930)181214(23)4616(18)24h461213H35711H212H3(H2532)
methyl2(((4((25dichlorophenyl)sulfonyl)piperazin1yl)carbonothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((4(25dichlorophenyl)sulfonylpiperazine1carbothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD07042558
ZINC000098043529
ZINC000098043530
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