Vitas-M small molecule compound
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK570643
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1
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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 C36H37N3O6S2 MW 671.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N3O6S2/c1-4-6-10-17-44-28-16-13-24(20-29(28)43-5-2)31-30(32(40)25-14-15-27-26(19-25)18-22(3)45-27)33(41)34(42)39(31)35-37-38-36(47-35)46-21-23-11-8-7-9-12-23/h7-9,11-16,19-20,22,31,40H,4-6,10,17-18,21H2,1-3H3/b32-30+InChIKey
MVXUFUWGMRNRTA-NHQGMKOOSA-NSynonyms
(4E)1(5(benzylsulfanyl)134thiadiazol2yl)5(3ethoxy4(pentyloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)5(3ETHOXY4PENTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1
InChI=1SC36H37N3O6S2c14610174428161324(2029(28)4352)3130(32(40)2514152726(1925)1822(3)4527)33(41)34(42)39(31)35373836(4735)462123118791223h7911161920223140H4610171821H213H3b3230+
MFCD05731670
ZINC000150462797
ZINC000150462808
Check stock
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Check stock on Vitas-MAvailable files
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