Vitas-M small molecule compound
ethyl 2-({[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK956789
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2c(Cl)cnn2C)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 C17H19ClN4O3S2 MW 426.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN4O3S2/c1-3-25-16(24)12-9-6-4-5-7-11(9)27-15(12)21-17(26)20-14(23)13-10(18)8-19-22(13)2/h8H,3-7H2,1-2H3,(H2,20,21,23,26)InChIKey
JDTVSIYTETYFHB-UHFFFAOYSA-NSynonyms
1005598-64-01005598640
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=C(C=NN3C)Cl
ethyl2((((4chloro1methyl1Hpyrazol5yl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4chloro2methylpyrazole3carbonyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC17H19ClN4O3S2c132516(24)129645711(9)2715(12)2117(26)2014(23)1310(18)81922(13)2h8H37H212H3(H220212326)
ZINC02755992
ZINC2755992
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