Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK582033
SMILES CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C31H27N3O6S2 MW 601.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O6S2/c1-3-38-22-6-4-5-20(15-22)26-25(27(35)21-11-12-23-24(16-21)40-14-13-39-23)28(36)29(37)34(26)30-32-33-31(42-30)41-17-19-9-7-18(2)8-10-19/h4-12,15-16,26,35H,3,13-14,17H2,1-2H3/b27-25+InChIKey
UUTAFOWEYWXXED-IMVLJIQESA-NSynonyms
620574-94-9(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxyphenyl)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXYPHENYL)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
620574949
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)C
CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC31H27N3O6S2c13382264520(1522)2625(27(35)2111122324(1621)4014133923)28(36)29(37)34(26)30323331(4230)4117199718(2)81019h41215162635H3131417H212H3b2725+
MFCD07212312
ZINC000102592494
ZINC000102592499
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.