Vitas-M small molecule compound
5,5'-butane-1,4-diylbis[4-(5-chloro-2-methylphenyl)-4H-1,2,4-triazole-3-thiol]
Catalog ID
STK441239
SMILES Clc1ccc(c(c1)n1c(CCCCc2nnc(n2c2cc(Cl)ccc2C)S)nnc1S)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 C22H22Cl2N6S2 MW 505.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N6S2/c1-13-7-9-15(23)11-17(13)29-19(25-27-21(29)31)5-3-4-6-20-26-28-22(32)30(20)18-12-16(24)10-8-14(18)2/h7-12H,3-6H2,1-2H3,(H,27,31)(H,28,32)InChIKey
ZMEGTDCKHSLYPW-UHFFFAOYSA-NSynonyms
4(5CHLORO2METHYLPHENYL)3(4(4(5CHLORO2METHYLPHENYL)5SULFANYLIDENE1H124TRIAZOL3YL)BUTYL)1H124TRIAZOLE5THIONE
4(5CHLORO2METHYLPHENYL)5(4(4(5CHLORO2METHYLPHENYL)5SULFANYL(124TRIAZOL3YL))BUTYL)124TRIAZOLE3THIOL
55butane14diylbis(4(5chloro2methylphenyl)4H124triazole3thiol)
CC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)CCCCC3=NNC(=S)N3C4=C(C=CC(=C4)Cl)C
InChI=1SC22H22Cl2N6S2c1137915(23)1117(13)2919(252721(29)31)534620262822(32)30(20)181216(24)10814(18)2h712H36H212H3(H2731)(H2832)
MFCD03946358
ZINC000020407216
ZINC20407216
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