Vitas-M small molecule compound
(4Z)-4-(2-butoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK140372
SMILES CCCCOc1ccccc1/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 C21H22N2O2 MW 334.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O2/c1-3-4-14-25-20-13-9-8-10-17(20)15-19-16(2)22-23(21(19)24)18-11-6-5-7-12-18/h5-13,15H,3-4,14H2,1-2H3/b19-15-InChIKey
NDSBDFNYNAKJOB-CYVLTUHYSA-NSynonyms
(4Z)4((2BUTOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(2BUTOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCCCOC1=CC=CC=C1C=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCCCOc1ccccc1C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC21H22N2O2c13414252013981017(20)151916(2)2223(21(19)24)18116571218h51315H3414H212H3b1915
MFCD02087036
ZINC000004682067
ZINC04682067
ZINC4682067
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