Vitas-M small molecule compound
(4E)-4-[2-(3-bromo-4-methylphenyl)hydrazinylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK024840
SMILES CC1=NN(C(=O)/C/1=N/Nc1ccc(c(c1)Br)C)c1ccc(cc1)[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 C17H14BrN5O3 MW 416.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrN5O3/c1-10-3-4-12(9-15(10)18)19-20-16-11(2)21-22(17(16)24)13-5-7-14(8-6-13)23(25)26/h3-9,19H,1-2H3/b20-16+InChIKey
KLJRSSUSEUBRQG-CAPFRKAQSA-NSynonyms
(4E)4((3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)5METHYL2(4NITROPHENYL)PYRAZOL3ONE
(4E)4(2(3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)5METHYL2(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=C(C=C1)NN=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C)Br
CC1=NN(C(=O)C1=NNc1ccc(c(c1)Br)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC17H14BrN5O3c1103412(915(10)18)19201611(2)2122(17(16)24)135714(8613)23(25)26h3919H12H3b2016+
MFCD01418868
STK024840
ZINC000009113147
ZINC100586144
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