Vitas-M small molecule compound
methyl 2-({[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436838
SMILES COC(=O)c1c(NC(=S)Nc2cnn(c2)Cc2c(Cl)cccc2Cl)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 C22H22Cl2N4O2S2 MW 509.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N4O2S2/c1-12-6-7-14-18(8-12)32-20(19(14)21(29)30-2)27-22(31)26-13-9-25-28(10-13)11-15-16(23)4-3-5-17(15)24/h3-5,9-10,12H,6-8,11H2,1-2H3,(H2,26,27,31)InChIKey
JHPRJQSTZLSIRA-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CN(N=C3)CC4=C(C=CC=C4Cl)Cl
InChI=1SC22H22Cl2N4O2S2c112671418(812)3220(19(14)21(29)302)2722(31)261392528(1013)111516(23)43517(15)24h3591012H6811H212H3(H2262731)
methyl2(((1(26dichlorobenzyl)1Hpyrazol4yl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((1((26dichlorophenyl)methyl)pyrazol4yl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD03945278
ZINC000020562736
ZINC000020562739
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