Vitas-M small molecule compound
ethyl 5-carbamoyl-2-{[(3,5-dinitrophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STL170710
SMILES CCOC(=O)c1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc(c1C)C(=O)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 C16H14N4O8S MW 422.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O8S/c1-3-28-16(23)11-7(2)12(13(17)21)29-15(11)18-14(22)8-4-9(19(24)25)6-10(5-8)20(26)27/h4-6H,3H2,1-2H3,(H2,17,21)(H,18,22)InChIKey
ZCACWGUZKQDZET-UHFFFAOYSA-NSynonyms
353787-54-9353787549
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))sc(c1C)C(=O)N
ethyl5carbamoyl2(((35dinitrophenyl)carbonyl)amino)4methylthiophene3carboxylate
ETHYL5CARBAMOYL2((35DINITROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC16H14N4O8Sc132816(23)117(2)12(13(17)21)2915(11)1814(22)849(19(24)25)610(58)20(26)27h46H3H212H3(H21721)(H1822)
MFCD01337473
ZINC000002736412
ZINC02736412
ZINC2736412
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