Vitas-M small molecule compound
ethyl 5-benzyl-2-{[(4-methylpiperidin-1-yl)carbonothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK436576
SMILES CCOC(=O)c1cc(sc1NC(=S)N1CCC(CC1)C)Cc1ccccc1
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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 C21H26N2O2S2 MW 402.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O2S2/c1-3-25-20(24)18-14-17(13-16-7-5-4-6-8-16)27-19(18)22-21(26)23-11-9-15(2)10-12-23/h4-8,14-15H,3,9-13H2,1-2H3,(H,22,26)InChIKey
HZKWJGXUILHWFN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCC(CC3)C
ETHYL2(((4METHYLPIPERIDYL)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2(((4methylpiperidin1yl)carbonothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((4METHYLPIPERIDINE1CARBOTHIOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H26N2O2S2c132520(24)181417(13167546816)2719(18)2221(26)2311915(2)101223h481415H3913H212H3(H2226)
MFCD03944862
ZINC000017082552
ZINC17082552
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