Vitas-M small molecule compound
(4E)-4-[4-(benzyloxy)-3-iodo-5-methoxybenzylidene]-2-(2-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL171156
SMILES COc1cc(cc(c1OCc1ccccc1)I)/C=C/1\C(=NN(C1=O)c1ccccc1Cl)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 C25H20ClIN2O3 MW 558.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClIN2O3/c1-16-19(25(30)29(28-16)22-11-7-6-10-20(22)26)12-18-13-21(27)24(23(14-18)31-2)32-15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3/b19-12+InChIKey
SUKOKGDAGYNWJC-XDHOZWIPSA-NSynonyms
(4E)2(2chlorophenyl)4((3iodo5methoxy4phenylmethoxyphenyl)methylidene)5methylpyrazol3one
(4E)4(4(benzyloxy)3iodo5methoxybenzylidene)2(2chlorophenyl)5methyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)OC)C4=CC=CC=C4Cl
COc1cc(cc(c1OCc1ccccc1)I)C=C1C(=NN(C1=O)c1ccccc1Cl)C
InChI=1SC25H20ClIN2O3c11619(25(30)29(2816)2211761020(22)26)12181321(27)24(23(1418)312)3215178435917h314H15H212H3b1912+
MFCD01919472
ZINC000100319736
ZINC100319736
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