Vitas-M small molecule compound
ethyl 5-cyano-4-methyl-2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK444503
SMILES CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(c(c2)[N+](=O)[O-])C)sc(c1C)C#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 C17H14N4O7S MW 418.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O7S/c1-4-28-17(23)14-9(3)13(7-18)29-16(14)19-15(22)10-5-11(20(24)25)8(2)12(6-10)21(26)27/h5-6H,4H2,1-3H3,(H,19,22)InChIKey
UUGSNOFNSLZHKD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C#N)NC(=O)C2=CC(=C(C(=C2)(N+)(=O)(O))C)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cc((N+)(=O)(O))c(c(c2)(N+)(=O)(O))C)sc(c1C)C#N
ethyl5cyano4methyl2(((4methyl35dinitrophenyl)carbonyl)amino)thiophene3carboxylate
ethyl5cyano4methyl2((4methyl35dinitrobenzoyl)amino)thiophene3carboxylate
ETHYL5CYANO4METHYL2((4METHYL35DINITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC17H14N4O7Sc142817(23)149(3)13(718)2916(14)1915(22)10511(20(24)25)8(2)12(610)21(26)27h56H4H213H3(H1922)
MFCD04055635
ZINC000017091380
ZINC17091380
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