Vitas-M small molecule compound
(4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL057428
SMILES CCOc1cc(ccc1OCCC(C)C)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/c1-5-44-29-18-22(10-13-28(29)45-15-14-20(2)3)31-30(32(41)23-11-12-27-25(17-23)16-21(4)46-27)33(42)34(43)40(31)35-38-39-36(48-35)47-19-24-8-6-7-9-26(24)37/h6-13,17-18,20-21,31,41H,5,14-16,19H2,1-4H3/b32-30+InChIKey
VESWORFXTAHDFI-NHQGMKOOSA-NSynonyms
(4E)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)5(3ethoxy4(3methylbutoxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6Cl)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1Cl
InChI=1SC36H36ClN3O6S2c1544291822(101328(29)45151420(2)3)3130(32(41)2311122725(1723)1621(4)4627)33(42)34(43)40(31)35383936(4835)471924867926(24)37h613171820213141H5141619H214H3b3230+
MFCD05734795
ZINC000150422200
ZINC000150422211
Check stock
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