Vitas-M small molecule compound
ethyl 6-methyl-2-{[(phenylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK829943
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)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 C20H22N2O3S2 MW 402.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S2/c1-3-25-19(24)16-14-10-9-12(2)11-15(14)27-18(16)22-20(26)21-17(23)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H2,21,22,23,26)InChIKey
SFWXGIKEVFVLKV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=CC=C3
ethyl2(3benzoylthioureido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
ethyl2(benzoylcarbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2(((phenylcarbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H22N2O3S2c132519(24)161410912(2)1115(14)2718(16)2220(26)2117(23)137546813h4812H3911H212H3(H221222326)
MFCD00761341
ZINC000000985768
ZINC000000985769
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