Vitas-M small molecule compound
(4E)-4-{[(2-ethyl-6-methylphenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK898023
SMILES CCc1cccc(c1N/C=C/1\C(=NN(C1=O)c1ccccc1)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 C20H21N3O MW 319.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O/c1-4-16-10-8-9-14(2)19(16)21-13-18-15(3)22-23(20(18)24)17-11-6-5-7-12-17/h5-13,21H,4H2,1-3H3/b18-13+InChIKey
HJEAYUAVWZPKDR-QGOAFFKASA-NSynonyms
(4E)4(((2ethyl6methylphenyl)amino)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4((2ethyl6methylanilino)methylidene)5methyl2phenylpyrazol3one
CCC1=CC=CC(=C1NC=C2C(=NN(C2=O)C3=CC=CC=C3)C)C
CCc1cccc(c1NC=C1C(=NN(C1=O)c1ccccc1)C)C
InChI=1SC20H21N3Oc1416108914(2)19(16)21131815(3)2223(20(18)24)17116571217h51321H4H213H3b1813+
MFCD18172784
ZINC000044827024
ZINC44827024
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