Vitas-M small molecule compound
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL051954
SMILES CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)C)/O
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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 C29H28N2O5S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5S/c1-14(2)18-6-8-19(9-7-18)24-23(25(33)20-10-11-22-21(13-20)12-15(3)36-22)26(34)28(35)31(24)29-30-16(4)27(37-29)17(5)32/h6-11,13-15,24,33H,12H2,1-5H3/b25-23+InChIKey
FRAWSLHRNZFFGO-WJTDDFOZSA-NSynonyms
862244-69-7(4E)1(5acetyl4methyl13thiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4(propan2yl)phenyl)pyrrolidine23dione
(4E)1(5ACETYL4METHYL13THIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
862244697
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)C)C)C5=CC=C(C=C5)C(C)C)O
CC1Cc2c(O1)ccc(c2)C(=C1C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)C)O
InChI=1SC29H28N2O5Sc114(2)186819(9718)2423(25(33)2010112221(1320)1215(3)3622)26(34)28(35)31(24)293016(4)27(3729)17(5)32h61113152433H12H215H3b2523+
MFCD05724589
ZINC000102735446
ZINC000102735454
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.