Vitas-M small molecule compound
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)propanamide
Catalog ID
STK773298
SMILES CCOc1cc(NC(=O)C(n2nc(c(c2C)Br)[N+](=O)[O-])C)c(cc1OCC)C#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 C18H20BrN5O5 MW 466.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrN5O5/c1-5-28-14-7-12(9-20)13(8-15(14)29-6-2)21-18(25)11(4)23-10(3)16(19)17(22-23)24(26)27/h7-8,11H,5-6H2,1-4H3,(H,21,25)InChIKey
PFYUVMHPPFGJHI-UHFFFAOYSA-NSynonyms
2(4bromo5methyl3nitro1Hpyrazol1yl)N(2cyano45diethoxyphenyl)propanamide
2(4BROMO5METHYL3NITROPYRAZOL1YL)N(2CYANO45DIETHOXYPHENYL)PROPANAMIDE
CCOC1=C(C=C(C(=C1)C#N)NC(=O)C(C)N2C(=C(C(=N2)(N+)(=O)(O))Br)C)OCC
CCOc1cc(NC(=O)C(n2nc(c(c2C)Br)(N+)(=O)(O))C)c(cc1OCC)C#N
InChI=1SC18H20BrN5O5c152814712(920)13(815(14)2962)2118(25)11(4)2310(3)16(19)17(2223)24(26)27h7811H56H214H3(H2125)
MFCD03821574
ZINC000001080182
ZINC000001080183
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