Vitas-M small molecule compound
(4E)-5-[3-(benzyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK567579
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)c1nnc(s1)SCc1ccc(cc1)C)/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 C37H31N3O5S2 MW 661.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31N3O5S2/c1-22-11-13-25(14-12-22)21-46-37-39-38-36(47-37)40-32(26-9-6-10-29(19-26)44-20-24-7-4-3-5-8-24)31(34(42)35(40)43)33(41)27-15-16-30-28(18-27)17-23(2)45-30/h3-16,18-19,23,32,41H,17,20-21H2,1-2H3/b33-31+InChIKey
HXNLTSRGMGIPIT-QOSDPKFLSA-NSynonyms
893696-01-0(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
893696010
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=C(C=C5)C)C6=CC(=CC=C6)OCC7=CC=CC=C7)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)c1nnc(s1)SCc1ccc(cc1)C)O
InChI=1SC37H31N3O5S2c122111325(141222)214637393836(4737)4032(26961029(1926)4420247435824)31(34(42)35(40)43)33(41)2715163028(1827)1723(2)4530h3161819233241H172021H212H3b3331+
MFCD05733606
ZINC000150458113
ZINC000150458127
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