Vitas-M small molecule compound
(4E)-4-(3-methoxy-4-{2-[(4-methylbenzyl)sulfanyl]ethoxy}benzylidene)-1-phenylpyrazolidine-3,5-dione
Catalog ID
STL367810
SMILES COc1cc(ccc1OCCSCc1ccc(cc1)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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-19-8-10-20(11-9-19)18-34-15-14-33-24-13-12-21(17-25(24)32-2)16-23-26(30)28-29(27(23)31)22-6-4-3-5-7-22/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,30)/b23-16+InChIKey
KDPUWPNEVNFONG-XQNSMLJCSA-NSynonyms
(4E)4((3methoxy4(2((4methylphenyl)methylsulfanyl)ethoxy)phenyl)methylidene)1phenylpyrazolidine35dione
(4E)4(3methoxy4(2((4methylbenzyl)sulfanyl)ethoxy)benzylidene)1phenylpyrazolidine35dione
CC1=CC=C(C=C1)CSCCOC2=C(C=C(C=C2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)OC
COc1cc(ccc1OCCSCc1ccc(cc1)C)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC27H26N2O4Sc11981020(11919)183415143324131221(1725(24)322)162326(30)2829(27(23)31)226435722h3131617H141518H212H3(H2830)b2316+
MFCD28951931
ZINC000096191239
ZINC96191239
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