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-(3-ethoxy-4-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK592344
SMILES CCCOc1ccc(cc1OCC)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 C33H30ClN3O7S2 MW 680.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClN3O7S2/c1-3-13-42-23-11-7-20(16-25(23)41-4-2)28-27(29(38)21-8-12-24-26(17-21)44-15-14-43-24)30(39)31(40)37(28)32-35-36-33(46-32)45-18-19-5-9-22(34)10-6-19/h5-12,16-17,28,38H,3-4,13-15,18H2,1-2H3/b29-27+InChIKey
ZJSODRHOELEOHJ-ORIPQNMZSA-NSynonyms
620577-47-1(4E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4propoxyphenyl)pyrrolidine23dione
(4E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PROPOXYPHENYL)PYRROLIDINE23DIONE
620577471
CCCOC1=C(C=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)OCC
CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC33H30ClN3O7S2c1313422311720(1625(23)4142)2827(29(38)218122426(1721)4415144324)30(39)31(40)37(28)32353633(4632)4518195922(34)10619h51216172838H34131518H212H3b2927+
MFCD07211854
ZINC000150482345
ZINC000150482350
Check stock
See real-time availability and sample size for STK592344 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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