Vitas-M small molecule compound
ethyl 2-(acetylamino)-7-(acetyloxy)-4,6-dinitro-1-benzothiophene-3-carboxylate
Catalog ID
STK279888
SMILES CCOC(=O)c1c(NC(=O)C)sc2c1c(cc(c2OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]
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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 C15H13N3O9S MW 411.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O9S/c1-4-26-15(21)11-10-8(17(22)23)5-9(18(24)25)12(27-7(3)20)13(10)28-14(11)16-6(2)19/h5H,4H2,1-3H3,(H,16,19)InChIKey
YUQUSGUZXSYAIG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1C(=CC(=C2OC(=O)C)(N+)(=O)(O))(N+)(=O)(O))NC(=O)C
CCOC(=O)c1c(NC(=O)C)sc2c1c(cc(c2OC(=O)C)(N+)(=O)(O))(N+)(=O)(O)
ethyl2(acetylamino)7(acetyloxy)46dinitro1benzothiophene3carboxylate
ethyl2acetamido7acetyloxy46dinitro1benzothiophene3carboxylate
InChI=1SC15H13N3O9Sc142615(21)11108(17(22)23)59(18(24)25)12(277(3)20)13(10)2814(11)166(2)19h5H4H213H3(H1619)
MFCD00771686
ZINC000009193871
ZINC09193871
ZINC9193871
Check stock
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Check stock on Vitas-MAvailable files
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