Vitas-M small molecule compound
(4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-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
STL055886
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1Cl
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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 C36H36ClN3O6S2 MW 706.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36ClN3O6S2/c1-4-6-9-16-45-28-15-12-22(19-29(28)44-5-2)31-30(32(41)23-13-14-27-25(18-23)17-21(3)46-27)33(42)34(43)40(31)35-38-39-36(48-35)47-20-24-10-7-8-11-26(24)37/h7-8,10-15,18-19,21,31,41H,4-6,9,16-17,20H2,1-3H3/b32-30+InChIKey
LSQFNIMMUNAZDD-NHQGMKOOSA-NSynonyms
(4E)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)5(3ethoxy4(pentyloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)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=C6Cl)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1Cl
InChI=1SC36H36ClN3O6S2c1469164528151222(1929(28)4452)3130(32(41)2313142725(1823)1721(3)4627)33(42)34(43)40(31)35383936(4835)47202410781126(24)37h7810151819213141H469161720H213H3b3230+
MFCD05725632
ZINC000150465545
ZINC000150465557
Check stock
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