Vitas-M small molecule compound
(4E)-4-{[(4-butylphenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK897972
SMILES CCCCc1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1ccccc1)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 C21H23N3O MW 333.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O/c1-3-4-8-17-11-13-18(14-12-17)22-15-20-16(2)23-24(21(20)25)19-9-6-5-7-10-19/h5-7,9-15,22H,3-4,8H2,1-2H3/b20-15+InChIKey
OPLDSOWNLKCZHB-HMMYKYKNSA-NSynonyms
(4E)4(((4butylphenyl)amino)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4((4butylanilino)methylidene)5methyl2phenylpyrazol3one
CCCCC1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCCCc1ccc(cc1)NC=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC21H23N3Oc134817111318(141217)22152016(2)2324(21(20)25)1996571019h5791522H348H212H3b2015+
MFCD18172761
ZINC000044826955
ZINC44826955
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