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-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK590650
SMILES CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)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 C33H29Cl2N3O6S2 MW 698.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29Cl2N3O6S2/c1-2-3-4-12-42-23-7-5-6-19(15-23)28-27(29(39)20-9-11-25-26(16-20)44-14-13-43-25)30(40)31(41)38(28)32-36-37-33(46-32)45-18-21-8-10-22(34)17-24(21)35/h5-11,15-17,28,39H,2-4,12-14,18H2,1H3/b29-27+InChIKey
KQLDPVDQRDSSCP-ORIPQNMZSA-NSynonyms
618855-48-4(4E)1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(pentyloxy)phenyl)pyrrolidine23dione
(4E)1(5((24DICHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
618855484
CCCCCOC1=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
CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC33H29Cl2N3O6S2c123412422375619(1523)2827(29(39)209112526(1620)4414134325)30(40)31(41)38(28)32363733(4632)45182181022(34)1724(21)35h51115172839H24121418H21H3b2927+
MFCD07198201
ZINC000150481234
ZINC000150481235
Check stock
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Check stock on Vitas-MAvailable files
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