Vitas-M small molecule compound
(4E)-4-{[(3-butoxyphenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK897977
SMILES CCCCOc1cccc(c1)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 C21H23N3O2 MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2/c1-3-4-13-26-19-12-8-9-17(14-19)22-15-20-16(2)23-24(21(20)25)18-10-6-5-7-11-18/h5-12,14-15,22H,3-4,13H2,1-2H3/b20-15+InChIKey
MHFMFVCIOVRWHG-HMMYKYKNSA-NSynonyms
(4E)4(((3butoxyphenyl)amino)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4((3BUTOXYANILINO)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
CCCCOC1=CC=CC(=C1)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCCCOc1cccc(c1)NC=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC21H23N3O2c134132619128917(1419)22152016(2)2324(21(20)25)18106571118h512141522H3413H212H3b2015+
MFCD05033474
ZINC000006273810
ZINC06273810
ZINC6273810
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