Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-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
STL051643
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)C
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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 C39H35N3O6S2 MW 705.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H35N3O6S2/c1-4-46-32-20-27(14-17-31(32)47-21-25-8-6-5-7-9-25)34-33(35(43)28-15-16-30-29(19-28)18-24(3)48-30)36(44)37(45)42(34)38-40-41-39(50-38)49-22-26-12-10-23(2)11-13-26/h5-17,19-20,24,34,43H,4,18,21-22H2,1-3H3/b35-33+InChIKey
WCLVVDIDEIZFQI-LAPDZXRHSA-NSynonyms
893697-62-6(4E)5(3ETHOXY4PHENYLMETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
893697626
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=C(C=C6)C)OCC7=CC=CC=C7
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)C
InChI=1SC39H35N3O6S2c1446322027(141731(32)4721258657925)3433(35(43)2815163029(1928)1824(3)4830)36(44)37(45)42(34)38404139(5038)492226121023(2)111326h5171920243443H4182122H213H3b3533+
MFCD05728777
ZINC000150435465
ZINC000150435487
Check stock
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