Vitas-M small molecule compound
(4E)-4-{[(4-chloro-3-nitrophenyl)amino]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL359403
SMILES Cc1ccc(cc1)N1N=C(/C(=C\Nc2ccc(c(c2)[N+](=O)[O-])Cl)/C1=O)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 C18H15ClN4O3 MW 370.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4O3/c1-11-3-6-14(7-4-11)22-18(24)15(12(2)21-22)10-20-13-5-8-16(19)17(9-13)23(25)26/h3-10,20H,1-2H3/b15-10+InChIKey
DKCWXMSXIMZLOD-XNTDXEJSSA-NSynonyms
(4E)4(((4chloro3nitrophenyl)amino)methylidene)5methyl2(4methylphenyl)24dihydro3Hpyrazol3one
(4E)4((4chloro3nitroanilino)methylidene)5methyl2(4methylphenyl)pyrazol3one
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=N2)C
Cc1ccc(cc1)N1N=C(C(=CNc2ccc(c(c2)(N+)(=O)(O))Cl)C1=O)C
InChI=1SC18H15ClN4O3c1113614(7411)2218(24)15(12(2)2122)1020135816(19)17(913)23(25)26h31020H12H3b1510+
MFCD00697358
ZINC000095471511
ZINC95471511
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