Vitas-M small molecule compound
(4E)-4-(3-{2-[2-(butan-2-yl)phenoxy]ethoxy}benzylidene)-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK006086
SMILES CCC(c1ccccc1OCCOc1cccc(c1)/C=C/1\C(=O)NN(C1=O)c1ccccc1)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 C28H28N2O4 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O4/c1-3-20(2)24-14-7-8-15-26(24)34-17-16-33-23-13-9-10-21(18-23)19-25-27(31)29-30(28(25)32)22-11-5-4-6-12-22/h4-15,18-20H,3,16-17H2,1-2H3,(H,29,31)/b25-19+InChIKey
TYEMATUKFKXUNU-NCELDCMTSA-NSynonyms
(4E)4((3(2(2BUTAN2YLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(3(2(2(BUTAN2YL)PHENOXY)ETHOXY)BENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CCC(C)C1=CC=CC=C1OCCOC2=CC=CC(=C2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4
CCC(c1ccccc1OCCOc1cccc(c1)C=C1C(=O)NN(C1=O)c1ccccc1)C
InChI=1SC28H28N2O4c1320(2)2414781526(24)34171633231391021(1823)192527(31)2930(28(25)32)22115461222h4151820H31617H212H3(H2931)b2519+
MFCD05975615
STK006086
ZINC000008952225
ZINC000008952226
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