Vitas-M small molecule compound
(4Z)-4-[5-chloro-2-(3-phenoxypropoxy)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK018446
SMILES Clc1ccc(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 C26H23ClN2O3 MW 446.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O3/c1-19-24(26(30)29(28-19)22-9-4-2-5-10-22)18-20-17-21(27)13-14-25(20)32-16-8-15-31-23-11-6-3-7-12-23/h2-7,9-14,17-18H,8,15-16H2,1H3/b24-18-InChIKey
XLUMMXOKYAPUDX-MOHJPFBDSA-NSynonyms
(4Z)4((5CHLORO2(3PHENOXYPROPOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(5CHLORO2(3PHENOXYPROPOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Cl)OCCCOC3=CC=CC=C3)C4=CC=CC=C4
Clc1ccc(c(c1)C=C1C(=NN(C1=O)c1ccccc1)C)OCCCOc1ccccc1
InChI=1SC26H23ClN2O3c11924(26(30)29(2819)2294251022)18201721(27)131425(20)32168153123116371223h279141718H81516H21H3b2418
MFCD03183884
STK018446
ZINC000013940248
ZINC13940248
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