Vitas-M small molecule compound
diethyl 5-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK492969
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc(c1C)C(=O)OCC
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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 C17H19BrN4O7S MW 503.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN4O7S/c1-5-28-16(24)11-8(3)13(17(25)29-6-2)30-15(11)19-10(23)7-21-9(4)12(18)14(20-21)22(26)27/h5-7H2,1-4H3,(H,19,23)InChIKey
FXRQRNPUTGESBE-UHFFFAOYSA-NSynonyms
957484-68-3957484683
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)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(=O)OCC
diethyl5(((4bromo5methyl3nitro1Hpyrazol1yl)acetyl)amino)3methylthiophene24dicarboxylate
DIETHYL5((2(4BROMO5METHYL3NITROPYRAZOL1YL)ACETYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC17H19BrN4O7Sc152816(24)118(3)13(17(25)2962)3015(11)1910(23)7219(4)12(18)14(2021)22(26)27h57H214H3(H1923)
MFCD06629131
ZINC000002882814
ZINC02882814
ZINC2882814
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