Vitas-M small molecule compound
5,5'-butane-1,4-diylbis[4-(5-chloro-2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol]
Catalog ID
STK441216
SMILES COc1ccc(cc1n1c(CCCCc2nnc(n2c2cc(Cl)ccc2OC)S)nnc1S)Cl
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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 C22H22Cl2N6O2S2 MW 537.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N6O2S2/c1-31-17-9-7-13(23)11-15(17)29-19(25-27-21(29)33)5-3-4-6-20-26-28-22(34)30(20)16-12-14(24)8-10-18(16)32-2/h7-12H,3-6H2,1-2H3,(H,27,33)(H,28,34)InChIKey
PVQAXGVMRKIMJE-UHFFFAOYSA-NSynonyms
4(5CHLORO2METHOXYPHENYL)3(4(4(5CHLORO2METHOXYPHENYL)5SULFANYLIDENE1H124TRIAZOL3YL)BUTYL)1H124TRIAZOLE5THIONE
4(5CHLORO2METHOXYPHENYL)5(4(4(5CHLORO2METHOXYPHENYL)5SULFANYL(124TRIAZOL3YL))BUTYL)124TRIAZOLE3THIOL
55butane14diylbis(4(5chloro2methoxyphenyl)4H124triazole3thiol)
COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)CCCCC3=NNC(=S)N3C4=C(C=CC(=C4)Cl)OC
InChI=1SC22H22Cl2N6O2S2c131179713(23)1115(17)2919(252721(29)33)534620262822(34)30(20)161214(24)81018(16)322h712H36H212H3(H2733)(H2834)
MFCD03946366
ZINC000006297657
ZINC6297657
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