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(4E)-5-(3-butoxyphenyl)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione

Catalog ID
STL049462
SMILES CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/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 C33H29Cl2N3O5S2 MW 682.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29Cl2N3O5S2/c1-3-4-12-42-24-7-5-6-19(15-24)28-27(29(39)20-9-11-26-22(14-20)13-18(2)43-26)30(40)31(41)38(28)32-36-37-33(45-32)44-17-21-8-10-23(34)16-25(21)35/h5-11,14-16,18,28,39H,3-4,12-13,17H2,1-2H3/b29-27+
InChIKey
HIBLOLNHIVPKHV-ORIPQNMZSA-N
Synonyms

(4E)5(3butoxyphenyl)1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(3BUTOXYPHENYL)1(5((24DICHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=C(C=C(C=C6)Cl)Cl
CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC33H29Cl2N3O5S2c13412422475619(1524)2827(29(39)209112622(1420)1318(2)4326)30(40)31(41)38(28)32363733(4532)44172181023(34)1625(21)35h5111416182839H34121317H212H3b2927+
MFCD05728027
ZINC000150457677
ZINC000150457685

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Available files

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