Vitas-M small molecule compound
(4Z)-4-[4-(benzyloxy)-3-methoxybenzylidene]-5-(4-methoxyphenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK331923
SMILES COc1cc(ccc1OCc1ccccc1)/C=C\1/C(=NN(C1=O)c1ccccc1)c1ccc(cc1)OC
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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 C31H26N2O4 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O4/c1-35-26-16-14-24(15-17-26)30-27(31(34)33(32-30)25-11-7-4-8-12-25)19-23-13-18-28(29(20-23)36-2)37-21-22-9-5-3-6-10-22/h3-20H,21H2,1-2H3/b27-19-InChIKey
JWRBVJPTVVACJK-DIBXZPPDSA-NSynonyms
(4Z)4(4(benzyloxy)3methoxybenzylidene)5(4methoxyphenyl)2phenyl24dihydro3Hpyrazol3one
(4Z)5(4methoxyphenyl)4((3methoxy4phenylmethoxyphenyl)methylidene)2phenylpyrazol3one
COC1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C5=CC=CC=C5
COc1cc(ccc1OCc1ccccc1)C=C1C(=NN(C1=O)c1ccccc1)c1ccc(cc1)OC
InChI=1SC31H26N2O4c13526161424(151726)3027(31(34)33(3230)25117481225)1923131828(29(2023)362)37212295361022h320H21H212H3b2719
MFCD09962641
ZINC000018194720
ZINC18194720
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