Vitas-M small molecule compound
(4E)-5-[3-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK598531
SMILES O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nnc(s1)SCc1ccccc1F)c1cccc(c1)OCc1ccccc1
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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/c36-26-12-5-4-9-24(26)20-46-35-38-37-34(47-35)39-30(22-10-6-11-25(17-22)45-19-21-7-2-1-3-8-21)29(32(41)33(39)42)31(40)23-13-14-27-28(18-23)44-16-15-43-27/h1-14,17-18,30,40H,15-16,19-20H2/b31-29+InChIKey
VYDIZMCIRGAMGG-OWWNRXNESA-NSynonyms
620578-40-7(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
620578407
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5F)C6=CC(=CC=C6)OCC7=CC=CC=C7)O
InChI=1SC35H26FN3O6S2c36261254924(26)204635383734(4735)3930(221061125(1722)4519217213821)29(32(41)33(39)42)31(40)2313142728(1823)4416154327h11417183040H15161920H2b3129+
MFCD07199961
O=C1C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C(N1c1nnc(s1)SCc1ccccc1F)c1cccc(c1)OCc1ccccc1
ZINC000150422216
ZINC000150422218
Check stock
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Check stock on Vitas-MAvailable files
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