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methyl 4-[(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,5-dioxopyrrolidin-2-yl]benzoate

Catalog ID
STL051419
SMILES COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)C)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 C32H27N3O6S2 MW 613.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N3O6S2/c1-17-4-6-19(7-5-17)16-42-32-34-33-31(43-32)35-26(20-8-10-21(11-9-20)30(39)40-3)25(28(37)29(35)38)27(36)22-12-13-24-23(15-22)14-18(2)41-24/h4-13,15,18,26,36H,14,16H2,1-3H3/b27-25+
InChIKey
FWTOIUXJIIMMQG-IMVLJIQESA-N
Synonyms
893698-51-6
893698516
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=C(C=C5)C)C6=CC=C(C=C6)C(=O)OC)O
COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC32H27N3O6S2c1174619(7517)164232343331(4332)3526(2081021(11920)30(39)403)25(28(37)29(35)38)27(36)2212132423(1522)1418(2)4124h41315182636H1416H213H3b2725+
methyl4((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)3(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD05729830
ZINC000102888258
ZINC000102888263

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Available files

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