Vitas-M small molecule compound
(4E)-4-{2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK066806
SMILES COc1ccc(c(c1)/C=C/1\C(=O)NN(C1=O)c1ccccc1)OCCOc1cc(C)cc(c1)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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-18-13-19(2)15-23(14-18)33-11-12-34-25-10-9-22(32-3)16-20(25)17-24-26(30)28-29(27(24)31)21-7-5-4-6-8-21/h4-10,13-17H,11-12H2,1-3H3,(H,28,30)/b24-17+InChIKey
GQWNIAFFTUIVHH-JJIBRWJFSA-NSynonyms
(4E)4((2(2(35DIMETHYLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(2(2(35DIMETHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CC1=CC(=CC(=C1)OCCOC2=C(C=C(C=C2)OC)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)C
COc1ccc(c(c1)C=C1C(=O)NN(C1=O)c1ccccc1)OCCOc1cc(C)cc(c1)C
InChI=1SC27H26N2O5c1181319(2)1523(1418)331112342510922(323)1620(25)172426(30)2829(27(24)31)217546821h4101317H1112H213H3(H2830)b2417+
MFCD05975640
STK066806
ZINC000013897942
ZINC13897942
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