Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK799552
SMILES COc1cc(ccc1OCCC(C)C)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=C1C(=O)c1cc2c(o1)cccc2)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 C33H30N2O6S MW 582.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O6S/c1-18(2)13-14-40-24-12-10-21(17-25(24)39-4)29-28(30(36)26-16-20-7-5-6-8-23(20)41-26)31(37)32(38)35(29)33-34-22-11-9-19(3)15-27(22)42-33/h5-12,15-18,29,37H,13-14H2,1-4H3InChIKey
DEPFHUNJJWREGN-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)4HYDROXY2(3METHOXY4(3METHYLBUTOXY)PHENYL)1(6METHYL13BENZOTHIAZOL2YL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)3hydroxy5(3methoxy4(3methylbutoxy)phenyl)1(6methyl13benzothiazol2yl)15dihydro2Hpyrrol2one
4(1BENZOFURAN2YLCARBONYL)3HYDROXY5(4(ISOPENTYLOXY)3METHOXYPHENYL)1(6METHYL13BENZOTHIAZOL2YL)15DIHYDRO2HPYRROL2ONE
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC(=C(C=C6)OCCC(C)C)OC
InChI=1SC33H30N2O6Sc118(2)13144024121021(1725(24)394)2928(30(36)261620756823(20)4126)31(37)32(38)35(29)33342211919(3)1527(22)4233h51215182937H1314H214H3
MFCD04088580
ZINC000008441670
ZINC000008441671
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.