Vitas-M small molecule compound
methyl 2-({[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK458404
SMILES COC(=O)c1c(NC(=S)N(Cc2cn(nc2C)CC)C)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 C20H28N4O2S2 MW 420.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O2S2/c1-6-24-11-14(13(3)22-24)10-23(4)20(27)21-18-17(19(25)26-5)15-8-7-12(2)9-16(15)28-18/h11-12H,6-10H2,1-5H3,(H,21,27)InChIKey
MMINQPWCVPYAHN-UHFFFAOYSA-NSynonyms
CCN1C=C(C(=N1)C)CN(C)C(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC
InChI=1SC20H28N4O2S2c16241114(13(3)2224)1023(4)20(27)211817(19(25)265)158712(2)916(15)2818h1112H610H215H3(H2127)
methyl2((((1ethyl3methyl1Hpyrazol4yl)methyl)(methyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((1ethyl3methylpyrazol4yl)methylmethylcarbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD04137068
ZINC000001121720
ZINC000001121722
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