Vitas-M small molecule compound
ethyl 5-benzyl-2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK436582
SMILES CCOC(=O)c1cc(sc1NC(=S)N1CCCC(C1)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)18-13-17(12-16-9-5-4-6-10-16)27-19(18)22-21(26)23-11-7-8-15(2)14-23/h4-6,9-10,13,15H,3,7-8,11-12,14H2,1-2H3,(H,22,26)InChIKey
PHXNGPFHUWKNEL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCCC(C3)C
ETHYL2(((3METHYLPIPERIDYL)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2(((3methylpiperidin1yl)carbonothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((3METHYLPIPERIDINE1CARBOTHIOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H26N2O2S2c132520(24)181317(121695461016)2719(18)2221(26)23117815(2)1423h469101315H378111214H212H3(H2226)
MFCD03944868
ZINC000017082550
ZINC000017082551
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