Vitas-M small molecule compound
ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-(2-methylpropyl)-2-oxotetrahydrofuran-3-carboxylate (non-preferred name)
Catalog ID
STL324485
SMILES CCOC(=O)C1(CC(C)C)CC(OC1=O)CSC(=N)N
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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 C13H22N2O4S MW 302.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H22N2O4S/c1-4-18-10(16)13(5-8(2)3)6-9(19-11(13)17)7-20-12(14)15/h8-9H,4-7H2,1-3H3,(H3,14,15)InChIKey
MXAUZRYYPQMEBU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1(CC(C)C)CC(OC1=O)CSC(=N)NBr
CCOC(=O)C1(CC(OC1=O)CSC(=N)N)CC(C)C
ethyl5((carbamimidoylsulfanyl)methyl)3(2methylpropyl)2oxotetrahydrofuran3carboxylate(nonpreferredname)
ethyl5((carbamimidoylthio)methyl)3isobutyl2oxotetrahydrofuran3carboxylatehydrobromide
ETHYL5(CARBAMIMIDOYLSULFANYLMETHYL)3(2METHYLPROPYL)2OXOOXOLANE3CARBOXYLATE
InChI=1SC13H22N2O4Sc141810(16)13(58(2)3)69(1911(13)17)72012(14)15h89H47H213H3(H31415)
MFCD01085960
ZINC000004784562
ZINC000008556671
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