Vitas-M small molecule compound
ethyl 5-[(1H-benzimidazol-2-ylsulfanyl)methyl]-2-oxo-3-pentyltetrahydrofuran-3-carboxylate hydrochloride (non-preferred name)
Catalog ID
STL589672
SMILES CCCCCC1(CC(OC1=O)CSc1nc2c([nH]1)cccc2)C(=O)OCC.Cl
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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 C20H27ClN2O4S MW 426.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O4S.ClH/c1-3-5-8-11-20(17(23)25-4-2)12-14(26-18(20)24)13-27-19-21-15-9-6-7-10-16(15)22-19;/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,21,22);1HInChIKey
HDMSQTPQRQUMGM-UHFFFAOYSA-NSynonyms
CCCCCC1(CC(OC1=O)CSc1nc2c((nH)1)cccc2)C(=O)OCCCl
ethyl5(((1Hbenzo(d)imidazol2yl)thio)methyl)2oxo3pentyltetrahydrofuran3carboxylatehydrochloride
ethyl5((1Hbenzimidazol2ylsulfanyl)methyl)2oxo3pentyltetrahydrofuran3carboxylatehydrochloride(nonpreferredname)
InChI=1SC20H26N2O4SClHc13581120(17(23)2542)1214(2618(20)24)13271921159671016(15)2219h6791014H3581113H212H3(H2122)1H
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