Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-[3-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL048284
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)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 C33H32N2O5S MW 568.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O5S/c1-4-5-6-14-39-24-9-7-8-21(18-24)29-28(30(36)22-11-13-26-23(17-22)16-20(3)40-26)31(37)32(38)35(29)33-34-25-12-10-19(2)15-27(25)41-33/h7-13,15,17-18,20,29,36H,4-6,14,16H2,1-3H3/b30-28+InChIKey
UQDIHFJFKMIMQQ-SJCQXOIGSA-NSynonyms
893699-47-3(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)5(3(pentyloxy)phenyl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
893699473
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)C
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC33H32N2O5Sc145614392497821(1824)2928(30(36)2211132623(1722)1620(3)4026)31(37)32(38)35(29)333425121019(2)1527(25)4133h713151718202936H461416H213H3b3028+
MFCD05733342
ZINC000102884815
ZINC000102884822
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.