Vitas-M small molecule compound
ethyl 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL405591
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc(c1C)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 C15H17BrN4O5S MW 445.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17BrN4O5S/c1-5-25-15(22)11-7(2)9(4)26-14(11)17-10(21)6-19-8(3)12(16)13(18-19)20(23)24/h5-6H2,1-4H3,(H,17,21)InChIKey
AGMMBDKQINDIBF-UHFFFAOYSA-NSynonyms
355805-07-1355805071
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=C(C(=N2)(N+)(=O)(O))Br)C
CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)(N+)(=O)(O))sc(c1C)C
ETHYL2(((4BROMO3NITRO5METHYL1HPYRAZOL1YL)ACETYL)AMINO)45DIMETHYL3THIOPHENECARBOXYLATE
ethyl2(((4bromo5methyl3nitro1Hpyrazol1yl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2(4BROMO5METHYL3NITROPYRAZOL1YL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC15H17BrN4O5Sc152515(22)117(2)9(4)2614(11)1710(21)6198(3)12(16)13(1819)20(23)24h56H214H3(H1721)
MFCD01451952
ZINC000000845114
ZINC00845114
ZINC845114
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