Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-4-{[(4-ethoxyphenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK751275
SMILES CCOc1ccc(cc1)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 C21H23N3O2 MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2/c1-5-26-19-10-7-17(8-11-19)22-13-20-16(4)23-24(21(20)25)18-9-6-14(2)15(3)12-18/h6-13,22H,5H2,1-4H3/b20-13+InChIKey
KJBKMANARWVXCI-DEDYPNTBSA-NSynonyms
(4E)2(34DIMETHYLPHENYL)4((4ETHOXYANILINO)METHYLIDENE)5METHYLPYRAZOL3ONE
2(34dimethylphenyl)4(((4ethoxyphenyl)amino)methylidene)5methyl24dihydro3Hpyrazol3one
CCOC1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=CC(=C(C=C3)C)C)C
CCOc1ccc(cc1)NC=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C
InChI=1SC21H23N3O2c15261910717(81119)22132016(4)2324(21(20)25)189614(2)15(3)1218h61322H5H214H3b2013+
MFCD00740476
ZINC000004359140
ZINC000100041106
ZINC04359140
ZINC4359140
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