Vitas-M small molecule compound
(4E)-4-{3-[2-(3-ethyl-5-methylphenoxy)ethoxy]benzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK827951
SMILES CCc1cc(OCCOc2cccc(c2)/C=C/2\C(=O)NN(C2=O)c2ccccc2)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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-3-20-14-19(2)15-24(16-20)33-13-12-32-23-11-7-8-21(17-23)18-25-26(30)28-29(27(25)31)22-9-5-4-6-10-22/h4-11,14-18H,3,12-13H2,1-2H3,(H,28,30)/b25-18+InChIKey
TVLJVOKCUGGUFO-XIEYBQDHSA-NSynonyms
(4E)4((3(2(3ETHYL5METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(3(2(3ethyl5methylphenoxy)ethoxy)benzylidene)1phenylpyrazolidine35dione
(Z)4(3(2(3ethyl5methylphenoxy)ethoxy)benzylidene)1phenylpyrazolidine35dione
CCC1=CC(=CC(=C1)C)OCCOC2=CC=CC(=C2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4
CCc1cc(OCCOc2cccc(c2)C=C2C(=O)NN(C2=O)c2ccccc2)cc(c1)C
InChI=1SC27H26N2O4c13201419(2)1524(1620)3313123223117821(1723)182526(30)2829(27(25)31)2295461022h4111418H31213H212H3(H2830)b2518+
MFCD18169660
ZINC000013571334
ZINC13571334
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