Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK583019
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1Cl
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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 C34H32ClN3O7S2 MW 694.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClN3O7S2/c1-3-5-14-43-24-12-10-20(17-26(24)42-4-2)29-28(30(39)21-11-13-25-27(18-21)45-16-15-44-25)31(40)32(41)38(29)33-36-37-34(47-33)46-19-22-8-6-7-9-23(22)35/h6-13,17-18,29,39H,3-5,14-16,19H2,1-2H3/b30-28+InChIKey
FCQKMIILEQPXIK-SJCQXOIGSA-NSynonyms
620576-48-9(4E)5(4butoxy3ethoxyphenyl)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
(4E)5(4BUTOXY3ETHOXYPHENYL)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
620576489
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6Cl)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1Cl
InChI=1SC34H32ClN3O7S2c135144324121020(1726(24)4242)2928(30(39)2111132527(1821)4516154425)31(40)32(41)38(29)33363734(4733)461922867923(22)35h61317182939H35141619H212H3b3028+
MFCD07208155
ZINC000150473617
ZINC000150473622
Check stock
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Check stock on Vitas-MAvailable files
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