Vitas-M small molecule compound
(4E)-4-{2-[(4-chlorobenzyl)oxy]benzylidene}-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK108628
SMILES Clc1ccc(cc1)COc1ccccc1/C=C\1/C(=O)N(N=C1c1ccccc1)c1ccccc1
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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 C29H21ClN2O2 MW 464.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O2/c30-24-17-15-21(16-18-24)20-34-27-14-8-7-11-23(27)19-26-28(22-9-3-1-4-10-22)31-32(29(26)33)25-12-5-2-6-13-25/h1-19H,20H2/b26-19+InChIKey
LQKFAZUASDHUOI-LGUFXXKBSA-NSynonyms
(4E)4((2((4chlorophenyl)methoxy)phenyl)methylidene)25diphenylpyrazol3one
(4E)4(2((4CHLOROBENZYL)OXY)BENZYLIDENE)25DIPHENYL24DIHYDRO3HPYRAZOL3ONE
C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=CC=C3OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5
Clc1ccc(cc1)COc1ccccc1C=C1C(=O)N(N=C1c1ccccc1)c1ccccc1
InChI=1SC29H21ClN2O2c3024171521(161824)20342714871123(27)192628(2293141022)3132(29(26)33)25125261325h119H20H2b2619+
MFCD08673502
ZINC000101512490
ZINC101512490
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