Vitas-M small molecule compound
ethyl 6-methyl-2-({[(1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK956746
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccnn2C)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 C18H22N4O3S2 MW 406.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3S2/c1-4-25-17(24)14-11-6-5-10(2)9-13(11)27-16(14)21-18(26)20-15(23)12-7-8-19-22(12)3/h7-8,10H,4-6,9H2,1-3H3,(H2,20,21,23,26)InChIKey
LQWQEICIQIXQFI-UHFFFAOYSA-NSynonyms
957486-36-1957486361
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=NN3C
ethyl6methyl2((((1methyl1Hpyrazol5yl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2((2methylpyrazole3carbonyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H22N4O3S2c142517(24)14116510(2)913(11)2716(14)2118(26)2015(23)12781922(12)3h7810H469H213H3(H220212326)
MFCD01155860
ZINC000000694722
ZINC000004646662
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