Vitas-M small molecule compound
(4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK584038
SMILES COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)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 C29H22ClN3O6S2 MW 608.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O6S2/c1-37-20-9-4-17(5-10-20)24-23(25(34)18-6-11-21-22(14-18)39-13-12-38-21)26(35)27(36)33(24)28-31-32-29(41-28)40-15-16-2-7-19(30)8-3-16/h2-11,14,24,34H,12-13,15H2,1H3/b25-23+InChIKey
YMBNXRGZZOZVNI-WJTDDFOZSA-NSynonyms
620576-68-3(4E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4methoxyphenyl)pyrrolidine23dione
(4E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
620576683
COC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)Cl
COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC29H22ClN3O6S2c137209417(51020)2423(25(34)186112122(1418)3913123821)26(35)27(36)33(24)28313229(4128)4015162719(30)8316h211142434H121315H21H3b2523+
MFCD07200344
ZINC000102596382
ZINC000102596388
Check stock
See real-time availability and sample size for STK584038 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.