Vitas-M small molecule compound
ethyl 2-({[(4-fluorophenyl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK374890
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)F)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 C20H21FN2O3S2 MW 420.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN2O3S2/c1-3-26-19(25)16-14-9-4-11(2)10-15(14)28-18(16)23-20(27)22-17(24)12-5-7-13(21)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,22,23,24,27)InChIKey
HAPOTXCGCPGPTE-UHFFFAOYSA-NSynonyms
354146-50-2354146502
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=C(C=C3)F
ethyl2((((4fluorophenyl)carbonyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((4fluorobenzoyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H21FN2O3S2c132619(25)16149411(2)1015(14)2818(16)2320(27)2217(24)125713(21)8612h5811H34910H212H3(H222232427)
MFCD00761342
ZINC000000827365
ZINC000000827366
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