Vitas-M small molecule compound
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL054168
SMILES CCCCOc1ccc(cc1OCC)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 C35H35N3O6S2 MW 657.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N3O6S2/c1-4-6-16-43-27-15-12-23(19-28(27)42-5-2)30-29(31(39)24-13-14-26-25(18-24)17-21(3)44-26)32(40)33(41)38(30)34-36-37-35(46-34)45-20-22-10-8-7-9-11-22/h7-15,18-19,21,30,39H,4-6,16-17,20H2,1-3H3/b31-29+InChIKey
GHIQIZFTIAXKMO-OWWNRXNESA-NSynonyms
(4E)1(5(benzylsulfanyl)134thiadiazol2yl)5(4butoxy3ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)5(4BUTOXY3ETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1
InChI=1SC35H35N3O6S2c146164327151223(1928(27)4252)3029(31(39)2413142625(1824)1721(3)4426)32(40)33(41)38(30)34363735(4634)452022108791122h7151819213039H46161720H213H3b3129+
MFCD05728827
ZINC000150463867
ZINC000150463877
Check stock
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