Vitas-M small molecule compound
ethyl 5-acetyl-2-{[(2,4-dinitrophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK447786
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])sc(c1C)C(=O)C
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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 C17H15N3O8S MW 421.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O8S/c1-4-28-17(23)13-8(2)14(9(3)21)29-16(13)18-15(22)11-6-5-10(19(24)25)7-12(11)20(26)27/h5-7H,4H2,1-3H3,(H,18,22)InChIKey
XATLLVLFZIJVAH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))sc(c1C)C(=O)C
ethyl5acetyl2(((24dinitrophenyl)carbonyl)amino)4methylthiophene3carboxylate
ETHYL5ACETYL2((24DINITROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5ACETYL2((24DINITROPHENYL)CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC17H15N3O8Sc142817(23)138(2)14(9(3)21)2916(13)1815(22)116510(19(24)25)712(11)20(26)27h57H4H213H3(H1822)
MFCD00592236
ZINC000003195970
ZINC03195970
ZINC3195970
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