Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK567021
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C31H28N2O5S MW 540.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O5S/c1-5-37-22-9-6-19(7-10-22)27-25(28(34)20-8-11-23-21(15-20)14-18(4)38-23)29(35)30(36)33(27)31-32-26-17(3)12-16(2)13-24(26)39-31/h6-13,15,18,27,34H,5,14H2,1-4H3/b28-25+InChIKey
DWXADWUZUJCYGA-AZPGRJICSA-NSynonyms
877793-64-1(4E)1(46dimethyl13benzothiazol2yl)5(4ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
877793641
CCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C
CCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC31H28N2O5Sc1537229619(71022)2725(28(34)208112321(1520)1418(4)3823)29(35)30(36)33(27)31322617(3)1216(2)1324(26)3931h61315182734H514H214H3b2825+
MFCD05735312
ZINC000102545235
ZINC000102650910
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Check stock on Vitas-MAvailable files
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