Vitas-M small molecule compound
ethyl 2-({[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK956811
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2nn(cc2Cl)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 C18H21ClN4O3S2 MW 440.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN4O3S2/c1-4-26-17(25)13-10-6-5-9(2)7-12(10)28-16(13)21-18(27)20-15(24)14-11(19)8-23(3)22-14/h8-9H,4-7H2,1-3H3,(H2,20,21,24,27)InChIKey
WMMNTQZWOBSPNN-UHFFFAOYSA-NSynonyms
957483-68-0957483680
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=NN(C=C3Cl)C
ethyl2((((4chloro1methyl1Hpyrazol3yl)carbonyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((4chloro1methylpyrazole3carbonyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H21ClN4O3S2c142617(25)1310659(2)712(10)2816(13)2118(27)2015(24)1411(19)823(3)2214h89H47H213H3(H220212427)
MFCD00852708
ZINC000000659009
ZINC000002779333
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