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diethyl 5,5'-[(4,5-dimethylbenzene-1,2-diyl)bis{[4-(ethoxycarbonyl)-1H-1,2,3-triazole-1,5-diyl]sulfanediyl}]bis(1,2,3-thiadiazole-4-carboxylate)

Catalog ID
STL446225
SMILES CCOC(=O)c1nnn(c1Sc1snnc1C(=O)OCC)c1cc(C)c(cc1n1nnc(c1Sc1snnc1C(=O)OCC)C(=O)OCC)C

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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 C28H28N10O8S4 MW 760.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N10O8S4/c1-7-43-23(39)17-21(47-27-19(31-35-49-27)25(41)45-9-3)37(33-29-17)15-11-13(5)14(6)12-16(15)38-22(18(30-34-38)24(40)44-8-2)48-28-20(32-36-50-28)26(42)46-10-4/h11-12H,7-10H2,1-6H3
InChIKey
MGCMGLXYADFMQR-UHFFFAOYSA-N
Synonyms

11(45DIMETHYLOPHENYLENE)BIS(5((4(ETHOXYCARBONYL)123THIADIAZOLE5YL)THIO)1H123TRIAZOLE4CARBOXYLICACIDETHYL)ESTER
CCOC(=O)C1=C(N(N=N1)C2=C(C=C(C(=C2)C)C)N3C(=C(N=N3)C(=O)OCC)SC4=C(N=NS4)C(=O)OCC)SC5=C(N=NS5)C(=O)OCC
diethyl55((45dimethylbenzene12diyl)bis((4(ethoxycarbonyl)1H123triazole15diyl)sulfanediyl))bis(123thiadiazole4carboxylate)
DIETHYL55(33(45DIMETHYL12PHENYLENE)BIS(5(ETHOXYCARBONYL)3H123TRIAZOLE43DIYL))BIS(SULFANEDIYL)BIS(123THIADIAZOLE4CARBOXYLATE)
ETHYL5(5ETHOXYCARBONYL3(2(4ETHOXYCARBONYL5(4ETHOXYCARBONYLTHIADIAZOL5YL)SULFANYLTRIAZOL1YL)45DIMETHYLPHENYL)TRIAZOL4YL)SULFANYLTHIADIAZOLE4CARBOXYLATE
InChI=1SC28H28N10O8S4c174323(39)1721(472719(31354927)25(41)4593)37(332917)151113(5)14(6)1216(15)3822(18(303438)24(40)4482)482820(32365028)26(42)46104h1112H710H216H3
MFCD06242541
ZINC000195779576

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Available files

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