Vitas-M small molecule compound
(4E)-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL052398
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)F
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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 C36H36FN3O6S2 MW 689.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36FN3O6S2/c1-4-6-7-16-45-28-15-10-23(19-29(28)44-5-2)31-30(32(41)24-11-14-27-25(18-24)17-21(3)46-27)33(42)34(43)40(31)35-38-39-36(48-35)47-20-22-8-12-26(37)13-9-22/h8-15,18-19,21,31,41H,4-7,16-17,20H2,1-3H3/b32-30+InChIKey
OGZWQOFRWNQHLP-NHQGMKOOSA-NSynonyms
(4E)5(3ethoxy4(pentyloxy)phenyl)1(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(3ETHOXY4PENTOXYPHENYL)1(5((4FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)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=C(C=C6)F)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)F
InChI=1SC36H36FN3O6S2c1467164528151023(1929(28)4452)3130(32(41)2411142725(1824)1721(3)4627)33(42)34(43)40(31)35383936(4835)47202281226(37)13922h8151819213141H47161720H213H3b3230+
MFCD05731275
ZINC000150460569
ZINC000150460582
Check stock
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Check stock on Vitas-MAvailable files
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