Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK588642
SMILES CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)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 C33H30FN3O6S2 MW 647.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30FN3O6S2/c1-2-3-4-14-41-24-7-5-6-21(17-24)28-27(29(38)22-10-13-25-26(18-22)43-16-15-42-25)30(39)31(40)37(28)32-35-36-33(45-32)44-19-20-8-11-23(34)12-9-20/h5-13,17-18,28,38H,2-4,14-16,19H2,1H3/b29-27+InChIKey
AWMGHMIZEHUAPM-ORIPQNMZSA-NSynonyms
618855-25-7(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)5(3(pentyloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5((4FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
618855257
CCCCCOC1=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)F
CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC33H30FN3O6S2c123414412475621(1724)2827(29(38)2210132526(1822)4316154225)30(39)31(40)37(28)32353633(4532)44192081123(34)12920h51317182838H24141619H21H3b2927+
MFCD07201634
ZINC000150479738
ZINC000150479741
Check stock
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Check stock on Vitas-MAvailable files
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