Vitas-M small molecule compound

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

Catalog ID
STL437684
SMILES CCOC(=O)c1nnsc1Sc1c(nnn1c1cc(C)ccc1n1nnc(c1Sc1snnc1C(=O)OCC)C(=O)OCC)C(=O)OCC

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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 C27H26N10O8S4 MW 746.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N10O8S4/c1-6-42-22(38)16-20(46-26-18(30-34-48-26)24(40)44-8-3)36(32-28-16)14-11-10-13(5)12-15(14)37-21(17(29-33-37)23(39)43-7-2)47-27-19(31-35-49-27)25(41)45-9-4/h10-12H,6-9H2,1-5H3
InChIKey
BZVZVGLAIFTNGR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(N=N1)C2=C(C=C(C=C2)C)N3C(=C(N=N3)C(=O)OCC)SC4=C(N=NS4)C(=O)OCC)SC5=C(N=NS5)C(=O)OCC
diethyl55((4methylbenzene12diyl)bis((4(ethoxycarbonyl)1H123triazole15diyl)sulfanediyl))bis(123thiadiazole4carboxylate)
DIETHYL55(33(4METHYL12PHENYLENE)BIS(5(ETHOXYCARBONYL)3H123TRIAZOLE43DIYL))BIS(SULFANEDIYL)BIS(123THIADIAZOLE4CARBOXYLATE)
ETHYL5(5ETHOXYCARBONYL3(2(4ETHOXYCARBONYL5(4ETHOXYCARBONYLTHIADIAZOL5YL)SULFANYLTRIAZOL1YL)4METHYLPHENYL)TRIAZOL4YL)SULFANYLTHIADIAZOLE4CARBOXYLATE
InChI=1SC27H26N10O8S4c164222(38)1620(462618(30344826)24(40)4483)36(322816)14111013(5)1215(14)3721(17(293337)23(39)4372)472719(31354927)25(41)4594h1012H69H215H3
MFCD06242528
ZINC000195816129

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Available files

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