Vitas-M small molecule compound
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK582409
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\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 C35H35N3O7S2 MW 673.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N3O7S2/c1-4-42-27-18-23(10-12-25(27)43-15-14-21(2)3)30-29(31(39)24-11-13-26-28(19-24)45-17-16-44-26)32(40)33(41)38(30)34-36-37-35(47-34)46-20-22-8-6-5-7-9-22/h5-13,18-19,21,30,39H,4,14-17,20H2,1-3H3/b31-29+InChIKey
UKDMSRKFXSCEFL-OWWNRXNESA-NSynonyms
620574-31-4(4E)1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4(3methylbutoxy)phenyl)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)PYRROLIDINE23DIONE
620574314
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1
InChI=1SC35H35N3O7S2c1442271823(101225(27)43151421(2)3)3029(31(39)2411132628(1924)4517164426)32(40)33(41)38(30)34363735(4734)4620228657922h5131819213039H4141720H213H3b3129+
MFCD07203544
ZINC000150422313
ZINC000150422316
Check stock
See real-time availability and sample size for STK582409 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.