Vitas-M small molecule compound
(4E)-4-[3,5-dichloro-2-(3-phenoxypropoxy)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK385697
SMILES Clc1cc(Cl)c(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCCOc1ccccc1
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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 C26H22Cl2N2O3 MW 481.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N2O3/c1-18-23(26(31)30(29-18)21-9-4-2-5-10-21)16-19-15-20(27)17-24(28)25(19)33-14-8-13-32-22-11-6-3-7-12-22/h2-7,9-12,15-17H,8,13-14H2,1H3/b23-16+InChIKey
KFEUEEHWHUGLAK-XQNSMLJCSA-NSynonyms
(4E)4((35dichloro2(3phenoxypropoxy)phenyl)methylidene)5methyl2phenylpyrazol3one
(4E)4(35DICHLORO2(3PHENOXYPROPOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC(=CC(=C2OCCCOC3=CC=CC=C3)Cl)Cl)C4=CC=CC=C4
Clc1cc(Cl)c(c(c1)C=C1C(=NN(C1=O)c1ccccc1)C)OCCCOc1ccccc1
InChI=1SC26H22Cl2N2O3c11823(26(31)30(2918)2194251021)16191520(27)1724(28)25(19)33148133222116371222h279121517H81314H21H3b2316+
MFCD02915144
ZINC000016185204
ZINC16185204
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