Vitas-M small molecule compound
ethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxo-5-thiocyanatohexanoate
Catalog ID
STL477097
SMILES Cc1c(C(=O)C(SC#N)CCCC(=O)OCC)[nH]c(=O)[nH]1
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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 C13H17N3O4S MW 311.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O4S/c1-3-20-10(17)6-4-5-9(21-7-14)12(18)11-8(2)15-13(19)16-11/h9H,3-6H2,1-2H3,(H2,15,16,19)InChIKey
FQGYNFHCOWFHIL-UHFFFAOYSA-NSynonyms
125119-71-3125119713
Cc1c(C(=O)C(SC#N)CCCC(=O)OCC)(nH)c(=O)(nH)1
CCOC(=O)CCCC(C(=O)C1=C(NC(=O)N1)C)SC#N
ETHYL(5S)6(5METHYL2OXO23DIHYDRO1HIMIDAZOL4YL)6OXO5THIOCYANATOHEXANOATE
ETHYL6(5METHYL2OXO13DIHYDROIMIDAZOL4YL)6OXO5THIOCYANATOHEXANOATE
ethyl6(5methyl2oxo23dihydro1Himidazol4yl)6oxo5thiocyanatohexanoate
InChI=1SC13H17N3O4Sc132010(17)6459(21714)12(18)118(2)1513(19)1611h9H36H212H3(H2151619)
MFCD01973139
ZINC000002745861
ZINC000002745862
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