Vitas-M small molecule compound
(4E)-4-{3-methoxy-4-[3-(3-methylphenoxy)propoxy]benzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK056053
SMILES COc1cc(ccc1OCCCOc1cccc(c1)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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-19-8-6-11-22(16-19)33-14-7-15-34-24-13-12-20(18-25(24)32-2)17-23-26(30)28-29(27(23)31)21-9-4-3-5-10-21/h3-6,8-13,16-18H,7,14-15H2,1-2H3,(H,28,30)/b23-17+InChIKey
JFUNFEXHUZDNAH-HAVVHWLPSA-NSynonyms
(4E)4((3METHOXY4(3(3METHYLPHENOXY)PROPOXY)PHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(3METHOXY4(3(3METHYLPHENOXY)PROPOXY)BENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
4(3METHOXY4(3(3METHYLPHENOXY)PROPOXY)BENZYLIDENE)1PHENYL35PYRAZOLIDINEDIONE
CC1=CC(=CC=C1)OCCCOC2=C(C=C(C=C2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)OC
COc1cc(ccc1OCCCOc1cccc(c1)C)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC27H26N2O5c119861122(1619)33147153424131220(1825(24)322)172326(30)2829(27(23)31)2194351021h368131618H71415H212H3(H2830)b2317+
MFCD03083817
STK056053
ZINC000008706074
ZINC08706074
ZINC8706074
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