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-hydroxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK583133
SMILES Oc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C28H21N3O6S2 MW 559.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O6S2/c32-19-8-4-7-17(13-19)23-22(24(33)18-9-10-20-21(14-18)37-12-11-36-20)25(34)26(35)31(23)27-29-30-28(39-27)38-15-16-5-2-1-3-6-16/h1-10,13-14,23,32-33H,11-12,15H2/b24-22+InChIKey
PFGDAYOTHCZSSE-ZNTNEXAZSA-NSynonyms
(4E)1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3hydroxyphenyl)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3HYDROXYPHENYL)PYRROLIDINE23DIONE
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5)C6=CC(=CC=C6)O)O
InChI=1SC28H21N3O6S2c321984717(1319)2322(24(33)189102021(1418)3712113620)25(34)26(35)31(23)27293028(3927)3815165213616h1101314233233H111215H2b2422+
MFCD07198008
Oc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
ZINC000102594932
ZINC000102594936
Check stock
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Check stock on Vitas-MAvailable files
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