Vitas-M small molecule compound

(4E)-5-(4-butoxy-3-ethoxyphenyl)-1-{5-[(4-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
STK577131
SMILES CCCCOc1ccc(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 C34H32ClN3O7S2 MW 694.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClN3O7S2/c1-3-5-14-43-24-12-8-21(17-26(24)42-4-2)29-28(30(39)22-9-13-25-27(18-22)45-16-15-44-25)31(40)32(41)38(29)33-36-37-34(47-33)46-19-20-6-10-23(35)11-7-20/h6-13,17-18,29,39H,3-5,14-16,19H2,1-2H3/b30-28+
InChIKey
KQNDPJWQAGXGHK-SJCQXOIGSA-N
Synonyms
620577-62-0
(4E)5(4butoxy3ethoxyphenyl)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
(4E)5(4BUTOXY3ETHOXYPHENYL)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
620577620
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=C(C=C6)Cl)OCC
CCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC34H32ClN3O7S2c13514432412821(1726(24)4242)2928(30(39)229132527(1822)4516154425)31(40)32(41)38(29)33363734(4733)46192061023(35)11720h61317182939H35141619H212H3b3028+
MFCD07199039
ZINC000150469949
ZINC000150469954

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Available files

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