Vitas-M small molecule compound
(4E)-4-(4-{2-[2-(butan-2-yl)phenoxy]ethoxy}-3-methoxybenzylidene)-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK024495
SMILES COc1cc(ccc1OCCOc1ccccc1C(CC)C)/C=C/1\C(=O)NN(C1=O)c1ccccc1
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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 C29H30N2O5 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5/c1-4-20(2)23-12-8-9-13-25(23)35-16-17-36-26-15-14-21(19-27(26)34-3)18-24-28(32)30-31(29(24)33)22-10-6-5-7-11-22/h5-15,18-20H,4,16-17H2,1-3H3,(H,30,32)/b24-18+InChIKey
HFAVZXVXUTUFSI-HKOYGPOVSA-NSynonyms
(4E)4((4(2(2BUTAN2YLPHENOXY)ETHOXY)3METHOXYPHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(4(2(2(BUTAN2YL)PHENOXY)ETHOXY)3METHOXYBENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CCC(C)C1=CC=CC=C1OCCOC2=C(C=C(C=C2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)OC
COc1cc(ccc1OCCOc1ccccc1C(CC)C)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC29H30N2O5c1420(2)2312891325(23)3516173626151421(1927(26)343)182428(32)3031(29(24)33)22106571122h5151820H41617H213H3(H3032)b2418+
MFCD02952571
STK024495
ZINC000009113108
ZINC000013940557
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