Vitas-M small molecule compound
methyl 2-({[1-(4-methylphenyl)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436344
SMILES COC(=O)c1c(NC(=S)NC(c2ccc(cc2)C)C)sc2c1CCCC2
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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 C20H24N2O2S2 MW 388.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O2S2/c1-12-8-10-14(11-9-12)13(2)21-20(25)22-18-17(19(23)24-3)15-6-4-5-7-16(15)26-18/h8-11,13H,4-7H2,1-3H3,(H2,21,22,25)InChIKey
PQSYTNFKMJHHOA-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC20H24N2O2S2c11281014(11912)13(2)2120(25)221817(19(23)243)15645716(15)2618h81113H47H213H3(H2212225)
methyl2(((1(4methylphenyl)ethyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(1(4methylphenyl)ethylcarbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD03944649
ZINC000006845839
ZINC000006845877
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