Vitas-M small molecule compound
ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-heptyl-2-oxotetrahydrofuran-3-carboxylate (non-preferred name)
Catalog ID
STL324027
SMILES CCCCCCCC1(CC(OC1=O)CSC(=N)N)C(=O)OCC
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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 C16H28N2O4S MW 344.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H28N2O4S/c1-3-5-6-7-8-9-16(13(19)21-4-2)10-12(22-14(16)20)11-23-15(17)18/h12H,3-11H2,1-2H3,(H3,17,18)InChIKey
ABCDBOKKOWMMLP-UHFFFAOYSA-NSynonyms
5CARBAMIMIDOYLSULFANYLMETHYL3HEPTYL2OXOTETRAHYDROFURAN3CARBOXYLICACID
CCCCCCCC1(CC(OC1=O)CSC(=N)N)C(=O)OCCBr
ethyl5((carbamimidoylsulfanyl)methyl)3heptyl2oxotetrahydrofuran3carboxylate(nonpreferredname)
ethyl5((carbamimidoylthio)methyl)3heptyl2oxotetrahydrofuran3carboxylatehydrobromide
ETHYL5(AMIDINOTHIOMETHYL)3HEPTYL2OXO345TRIHYDROFURAN3CARBOXYLATE
ETHYL5(CARBAMIMIDOYLSULFANYLMETHYL)3HEPTYL2OXOOXOLANE3CARBOXYLATE
InChI=1SC16H28N2O4Sc135678916(13(19)2142)1012(2214(16)20)112315(17)18h12H311H212H3(H31718)
MFCD01088799
ZINC000033358356
ZINC000100565119
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