Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-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
STL055334
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)c1sc2c(n1)c(C)cc(c2)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 C27H22N2O4S2 MW 502.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4S2/c1-13-9-14(2)22-20(10-13)35-27(28-22)29-23(19-5-4-8-34-19)21(25(31)26(29)32)24(30)16-6-7-18-17(12-16)11-15(3)33-18/h4-10,12,15,23,30H,11H2,1-3H3/b24-21+InChIKey
WVGKVSNEQNZRAE-DARPEHSRSA-NSynonyms
862245-73-6(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(thiophen2yl)pyrrolidine23dione
(4E)1(46DIMETHYL13BENZOTHIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
862245736
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CC=CS6)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccs1)c1sc2c(n1)c(C)cc(c2)C)O
InChI=1SC27H22N2O4S2c113914(2)2220(1013)3527(2822)2923(195483419)21(25(31)26(29)32)24(30)16671817(1216)1115(3)3318h41012152330H11H213H3b2421+
MFCD05732933
ZINC000102771549
ZINC000102771554
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.