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(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione

Catalog ID
STL057696
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1

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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 C36H37N3O6S2 MW 671.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N3O6S2/c1-5-43-29-19-24(11-14-28(29)44-16-15-21(2)3)31-30(32(40)25-12-13-27-26(18-25)17-22(4)45-27)33(41)34(42)39(31)35-37-38-36(47-35)46-20-23-9-7-6-8-10-23/h6-14,18-19,21-22,31,40H,5,15-17,20H2,1-4H3/b32-30+
InChIKey
PCXGNBGMNYVOGS-NHQGMKOOSA-N
Synonyms

(4E)1(5(benzylsulfanyl)134thiadiazol2yl)5(3ethoxy4(3methylbutoxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)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=CC=C6)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1
InChI=1SC36H37N3O6S2c1543291924(111428(29)44161521(2)3)3130(32(40)2512132726(1825)1722(4)4527)33(41)34(42)39(31)35373836(4735)46202397681023h614181921223140H5151720H214H3b3230+
MFCD05730524
ZINC000150422182
ZINC000150422195

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Available files

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