Vitas-M small molecule compound
(4E)-4-{3-chloro-5-ethoxy-4-[(2-methylbenzyl)oxy]benzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK030095
SMILES CCOc1cc(cc(c1OCc1ccccc1C)Cl)/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 C26H23ClN2O4 MW 462.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O4/c1-3-32-23-15-18(14-22(27)24(23)33-16-19-10-8-7-9-17(19)2)13-21-25(30)28-29(26(21)31)20-11-5-4-6-12-20/h4-15H,3,16H2,1-2H3,(H,28,30)/b21-13+InChIKey
XIPSTGKFMREXRW-FYJGNVAPSA-NSynonyms
(4E)4((3CHLORO5ETHOXY4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(3CHLORO5ETHOXY4((2METHYLBENZYL)OXY)BENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Cl)OCC4=CC=CC=C4C
CCOc1cc(cc(c1OCc1ccccc1C)Cl)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC26H23ClN2O4c1332231518(1422(27)24(23)3316191087917(19)2)132125(30)2829(26(21)31)20115461220h415H316H212H3(H2830)b2113+
MFCD03228035
STK030095
ZINC000009144505
ZINC09144505
ZINC9144505
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