Vitas-M small molecule compound
methyl 2-({[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436983
SMILES COC(=O)c1c(NC(=S)NCc2cn(nc2C)CC)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 C19H26N4O2S2 MW 406.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N4O2S2/c1-5-23-10-13(12(3)22-23)9-20-19(26)21-17-16(18(24)25-4)14-7-6-11(2)8-15(14)27-17/h10-11H,5-9H2,1-4H3,(H2,20,21,26)InChIKey
TWBHJZBUCBYZKJ-UHFFFAOYSA-NSynonyms
CCN1C=C(C(=N1)C)CNC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC
InChI=1SC19H26N4O2S2c15231013(12(3)2223)92019(26)211716(18(24)254)147611(2)815(14)2717h1011H59H214H3(H2202126)
methyl2((((1ethyl3methyl1Hpyrazol4yl)methyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((1ethyl3methylpyrazol4yl)methylcarbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD03945291
ZINC000006145011
ZINC000006145012
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