Vitas-M small molecule compound
(4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK589939
SMILES CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O)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 C33H29Cl2N3O6S2 MW 698.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29Cl2N3O6S2/c1-18(2)10-11-42-23-5-3-4-19(14-23)28-27(29(39)20-7-9-25-26(15-20)44-13-12-43-25)30(40)31(41)38(28)32-36-37-33(46-32)45-17-21-6-8-22(34)16-24(21)35/h3-9,14-16,18,28,39H,10-13,17H2,1-2H3/b29-27+InChIKey
ISIQXNWITAGHAT-ORIPQNMZSA-NSynonyms
618855-49-5(4E)1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(3methylbutoxy)phenyl)pyrrolidine23dione
(4E)1(5((24DICHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3(3METHYLBUTOXY)PHENYL)PYRROLIDINE23DIONE
618855495
CC(C)CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=C(C=C(C=C6)Cl)Cl
CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O)C
InChI=1SC33H29Cl2N3O6S2c118(2)1011422353419(1423)2827(29(39)20792526(1520)4413124325)30(40)31(41)38(28)32363733(4632)4517216822(34)1624(21)35h391416182839H101317H212H3b2927+
MFCD07203444
ZINC000150480660
ZINC000150480663
Check stock
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Check stock on Vitas-MAvailable files
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