Vitas-M small molecule compound
methyl 2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436965
SMILES COC(=O)c1c(NC(=S)NCc2cn(nc2c2ccccc2)c2ccccc2)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 C28H28N4O2S2 MW 516.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O2S2/c1-18-13-14-22-23(15-18)36-26(24(22)27(33)34-2)30-28(35)29-16-20-17-32(21-11-7-4-8-12-21)31-25(20)19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3,(H2,29,30,35)InChIKey
JTYHCPYSXZUFRZ-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC28H28N4O2S2c11813142223(1518)3626(24(22)27(33)342)3028(35)2916201732(21117481221)3125(20)1995361019h3121718H1316H212H3(H2293035)
methyl2((((13diphenyl1Hpyrazol4yl)methyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((13diphenylpyrazol4yl)methylcarbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD03945272
ZINC000020562753
ZINC000020562756
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