Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK568714
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2cccs2)/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C1=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 C27H22N2O5S2 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O5S2/c1-3-33-17-7-8-18-21(13-17)36-27(28-18)29-23(20-5-4-10-35-20)22(25(31)26(29)32)24(30)15-6-9-19-16(12-15)11-14(2)34-19/h4-10,12-14,23,30H,3,11H2,1-2H3/b24-22+InChIKey
QNMGGBKRSFNCRR-ZNTNEXAZSA-NSynonyms
862186-57-0(4E)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(thiophen2yl)pyrrolidine23dione
(4E)1(6ETHOXY13BENZOTHIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
862186570
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OC(C5)C)O)C(=O)C3=O)C6=CC=CS6
CCOc1ccc2c(c1)sc(n2)N1C(c2cccs2)C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C1=O
InChI=1SC27H22N2O5S2c133317781821(1317)3627(2818)2923(2054103520)22(25(31)26(29)32)24(30)15691916(1215)1114(2)3419h41012142330H311H212H3b2422+
MFCD05730634
ZINC000102553860
ZINC000102652745
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.