Vitas-M small molecule compound

(4E)-4-{[(2-hydroxy-4-nitrophenyl)amino]methylidene}-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL294989
SMILES CC1=NN(C(=O)/C/1=C/Nc1ccc(cc1O)[N+](=O)[O-])c1ccccc1C

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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 C18H16N4O4 MW 352.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4/c1-11-5-3-4-6-16(11)21-18(24)14(12(2)20-21)10-19-15-8-7-13(22(25)26)9-17(15)23/h3-10,19,23H,1-2H3/b14-10+
InChIKey
HSZATCGZTJQAEY-GXDHUFHOSA-N
Synonyms

(4E)4(((2hydroxy4nitrophenyl)amino)methylidene)5methyl2(2methylphenyl)24dihydro3Hpyrazol3one
(4E)4((2hydroxy4nitroanilino)methylidene)5methyl2(2methylphenyl)pyrazol3one
CC1=CC=CC=C1N2C(=O)C(=CNC3=C(C=C(C=C3)(N+)(=O)(O))O)C(=N2)C
CC1=NN(C(=O)C1=CNc1ccc(cc1O)(N+)(=O)(O))c1ccccc1C
InChI=1SC18H16N4O4c111534616(11)2118(24)14(12(2)2021)1019158713(22(25)26)917(15)23h3101923H12H3b1410+
MFCD00697270
ZINC000095470881
ZINC95470881

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Available files

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