Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-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
STL050816
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
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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 C36H38N2O7S MW 642.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H38N2O7S/c1-5-8-9-16-44-28-15-10-22(19-29(28)43-7-3)32-31(33(39)23-11-14-27-24(18-23)17-21(4)45-27)34(40)35(41)38(32)36-37-26-13-12-25(42-6-2)20-30(26)46-36/h10-15,18-21,32,39H,5-9,16-17H2,1-4H3/b33-31+InChIKey
FZIFKBJLIYHAAG-QOSDPKFLSA-NSynonyms
893698-55-0(4E)1(6ethoxy13benzothiazol2yl)5(3ethoxy4(pentyloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(6ETHOXY13BENZOTHIAZOL2YL)5(3ETHOXY4PENTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
893698550
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OCC)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC36H38N2O7Sc1589164428151022(1929(28)4373)3231(33(39)2311142724(1823)1721(4)4527)34(40)35(41)38(32)363726131225(4262)2030(26)4636h101518213239H591617H214H3b3331+
MFCD05738127
ZINC000150457045
ZINC000150457064
Check stock
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Check stock on Vitas-MAvailable files
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