Vitas-M small molecule compound

ethyl 5-acetyl-2-(acetylamino)-4-(4-nitrophenyl)thiophene-3-carboxylate

Catalog ID
STK279990
SMILES CCOC(=O)c1c(NC(=O)C)sc(c1c1ccc(cc1)[N+](=O)[O-])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 C17H16N2O6S MW 376.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O6S/c1-4-25-17(22)14-13(11-5-7-12(8-6-11)19(23)24)15(9(2)20)26-16(14)18-10(3)21/h5-8H,4H2,1-3H3,(H,18,21)
InChIKey
UDAJEOOYKDYILC-UHFFFAOYSA-N
Synonyms
331275-46-8
331275468
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)(N+)(=O)(O))C(=O)C)NC(=O)C
CCOC(=O)c1c(NC(=O)C)sc(c1c1ccc(cc1)(N+)(=O)(O))C(=O)C
ETHYL2ACETAMIDO5ACETYL4(4NITROPHENYL)THIOPHENE3CARBOXYLATE
ethyl5acetyl2(acetylamino)4(4nitrophenyl)thiophene3carboxylate
InChI=1SC17H16N2O6Sc142517(22)1413(115712(8611)19(23)24)15(9(2)20)2616(14)1810(3)21h58H4H213H3(H1821)
MFCD00769536
ZINC000000711988
ZINC00711988
ZINC711988

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.