Vitas-M small molecule compound
(4Z)-4-{[(2,4-dimethyl-6-nitrophenyl)amino]methylidene}-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL359382
SMILES Cc1cc(C)c(c(c1)[N+](=O)[O-])N/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C)C)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 C21H22N4O3 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3/c1-12-8-15(4)20(19(9-12)25(27)28)22-11-18-16(5)23-24(21(18)26)17-7-6-13(2)14(3)10-17/h6-11,22H,1-5H3/b18-11-InChIKey
SMDLGWBZHFXJHF-WQRHYEAKSA-NSynonyms
(4Z)4(((24dimethyl6nitrophenyl)amino)methylidene)2(34dimethylphenyl)5methyl24dihydro3Hpyrazol3one
(4Z)4((24dimethyl6nitroanilino)methylidene)2(34dimethylphenyl)5methylpyrazol3one
CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3(N+)(=O)(O))C)C)C(=N2)C)C
Cc1cc(C)c(c(c1)(N+)(=O)(O))NC=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C
InChI=1SC21H22N4O3c112815(4)20(19(912)25(27)28)22111816(5)2324(21(18)26)177613(2)14(3)1017h61122H15H3b1811
MFCD28033670
ZINC000095471500
ZINC95471500
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