Vitas-M small molecule compound

(4E)-5-[3-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione

Catalog ID
STK589752
SMILES Fc1ccc(cc1)CSc1nnc(s1)N1C(c2cccc(c2)OCc2ccccc2)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=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 C35H26FN3O6S2 MW 667.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26FN3O6S2/c36-25-12-9-22(10-13-25)20-46-35-38-37-34(47-35)39-30(23-7-4-8-26(17-23)45-19-21-5-2-1-3-6-21)29(32(41)33(39)42)31(40)24-11-14-27-28(18-24)44-16-15-43-27/h1-14,17-18,30,40H,15-16,19-20H2/b31-29+
InChIKey
PIJNDXLDPVPQAH-OWWNRXNESA-N
Synonyms
618855-24-6
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5((4FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
618855246
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=C(C=C5)F)C6=CC(=CC=C6)OCC7=CC=CC=C7)O
Fc1ccc(cc1)CSc1nnc(s1)N1C(c2cccc(c2)OCc2ccccc2)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC35H26FN3O6S2c362512922(101325)204635383734(4735)3930(2374826(1723)4519215213621)29(32(41)33(39)42)31(40)2411142728(1824)4416154327h11417183040H15161920H2b3129+
MFCD07202998
ZINC000150435042
ZINC000150435044

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Available files

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