Vitas-M small molecule compound
(4Z)-4-{5-bromo-2-[2-(3-methoxyphenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK047534
SMILES COc1cccc(c1)OCCOc1ccc(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)C)Br
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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 C26H23BrN2O4 MW 507.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O4/c1-18-24(26(30)29(28-18)21-7-4-3-5-8-21)16-19-15-20(27)11-12-25(19)33-14-13-32-23-10-6-9-22(17-23)31-2/h3-12,15-17H,13-14H2,1-2H3/b24-16-InChIKey
RSMTWBPTJNSANT-JLPGSUDCSA-NSynonyms
(4Z)4((5BROMO2(2(3METHOXYPHENOXY)ETHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(5BROMO2(2(3METHOXYPHENOXY)ETHOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCCOC3=CC=CC(=C3)OC)C4=CC=CC=C4
COc1cccc(c1)OCCOc1ccc(cc1C=C1C(=NN(C1=O)c1ccccc1)C)Br
InChI=1SC26H23BrN2O4c11824(26(30)29(2818)217435821)16191520(27)111225(19)3314133223106922(1723)312h3121517H1314H212H3b2416
MFCD02121928
STK047534
ZINC000013943228
ZINC13943228
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