Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK581034
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\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 C41H33N3O7S2 MW 743.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H33N3O7S2/c1-2-48-33-21-27(15-17-32(33)51-23-25-9-4-3-5-10-25)36-35(37(45)28-16-18-31-34(22-28)50-20-19-49-31)38(46)39(47)44(36)40-42-43-41(53-40)52-24-29-13-8-12-26-11-6-7-14-30(26)29/h3-18,21-22,36,45H,2,19-20,23-24H2,1H3/b37-35+InChIKey
QNONWGPLBDCTDJ-MHAUTQJVSA-NSynonyms
618855-76-8(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PHENYLMETHOXYPHENYL)1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3ethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
618855768
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)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)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2
InChI=1SC41H33N3O7S2c1248332127(151732(33)51232594351025)3635(37(45)2816183134(2228)5020194931)38(46)39(47)44(36)40424341(5340)522429138122611671430(26)29h31821223645H219202324H21H3b3735+
MFCD07199080
ZINC000150435797
ZINC000150435800
Check stock
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Check stock on Vitas-MAvailable files
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