Vitas-M small molecule compound
(4E)-5-[3-(benzyloxy)phenyl]-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL041186
SMILES CC1Oc2c(C1)cc(cc2)/C(=C\1/C(c2cccc(c2)OCc2ccccc2)N(C(=O)C1=O)c1nnc(s1)SCc1ccccc1)/O
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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 C36H29N3O5S2 MW 647.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29N3O5S2/c1-22-17-27-18-26(15-16-29(27)44-22)32(40)30-31(25-13-8-14-28(19-25)43-20-23-9-4-2-5-10-23)39(34(42)33(30)41)35-37-38-36(46-35)45-21-24-11-6-3-7-12-24/h2-16,18-19,22,31,40H,17,20-21H2,1H3/b32-30+InChIKey
WLDZAZUWZKYCOL-NHQGMKOOSA-NSynonyms
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)1(5(benzylsulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5)C6=CC(=CC=C6)OCC7=CC=CC=C7)O
CC1Oc2c(C1)cc(cc2)C(=C1C(c2cccc(c2)OCc2ccccc2)N(C(=O)C1=O)c1nnc(s1)SCc1ccccc1)O
InChI=1SC36H29N3O5S2c12217271826(151629(27)4422)32(40)3031(251381428(1925)43202394251023)39(34(42)33(30)41)35373836(4635)452124116371224h2161819223140H172021H21H3b3230+
MFCD05731543
ZINC000150445579
ZINC000150445591
Check stock
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Check stock on Vitas-MAvailable files
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