Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK570110
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2
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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 C42H35N3O6S2 MW 741.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H35N3O6S2/c1-3-49-35-22-28(16-19-34(35)50-23-26-10-5-4-6-11-26)37-36(38(46)29-17-18-33-31(21-29)20-25(2)51-33)39(47)40(48)45(37)41-43-44-42(53-41)52-24-30-14-9-13-27-12-7-8-15-32(27)30/h4-19,21-22,25,37,46H,3,20,23-24H2,1-2H3/b38-36+InChIKey
PMSLSEYZZZLOFU-BSKJHSHCSA-NSynonyms
(4E)5(3ETHOXY4PHENYLMETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC7=CC=CC=C76)OCC8=CC=CC=C8
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2
InChI=1SC42H35N3O6S2c1349352228(161934(35)502326105461126)3736(38(46)2917183331(2129)2025(2)5133)39(47)40(48)45(37)41434442(5341)522430149132712781532(27)30h4192122253746H3202324H212H3b3836+
MFCD05724399
ZINC000150435586
ZINC000150435598
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