Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL052586
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cccc(c1)OCCC(C)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 C33H32N2O6S MW 584.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O6S/c1-18(2)12-13-40-24-7-5-6-20(16-24)29-28(30(36)21-8-11-26-22(15-21)14-19(3)41-26)31(37)32(38)35(29)33-34-25-10-9-23(39-4)17-27(25)42-33/h5-11,15-19,29,36H,12-14H2,1-4H3/b30-28+InChIKey
LMFXTJDJEBKINU-SJCQXOIGSA-NSynonyms
893703-48-5(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)5(3(3methylbutoxy)phenyl)pyrrolidine23dione
893703485
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)OC)C6=CC(=CC=C6)OCCC(C)C)O
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cccc(c1)OCCC(C)C
InChI=1SC33H32N2O6Sc118(2)1213402475620(1624)2928(30(36)218112622(1521)1419(3)4126)31(37)32(38)35(29)33342510923(394)1727(25)4233h51115192936H1214H214H3b3028+
MFCD07206506
ZINC000102890255
ZINC000102890261
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