Vitas-M small molecule compound
5,5'-butane-1,4-diylbis{4-[4-(butan-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol}
Catalog ID
STK441221
SMILES CCC(c1ccc(cc1)n1c(CCCCc2nnc(n2c2ccc(cc2)C(CC)C)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 C28H36N6S2 MW 520.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N6S2/c1-5-19(3)21-11-15-23(16-12-21)33-25(29-31-27(33)35)9-7-8-10-26-30-32-28(36)34(26)24-17-13-22(14-18-24)20(4)6-2/h11-20H,5-10H2,1-4H3,(H,31,35)(H,32,36)InChIKey
QZQZBDQJYIKTSN-UHFFFAOYSA-NSynonyms
4(4(METHYLPROPYL)PHENYL)5(4(4(4(METHYLPROPYL)PHENYL)5SULFANYL(124TRIAZOL3YL))BUTYL)124TRIAZOLE3THIOL
4(4BUTAN2YLPHENYL)3(4(4(4BUTAN2YLPHENYL)5SULFANYLIDENE1H124TRIAZOL3YL)BUTYL)1H124TRIAZOLE5THIONE
55butane14diylbis(4(4(butan2yl)phenyl)4H124triazole3thiol)
CCC(C)C1=CC=C(C=C1)N2C(=NNC2=S)CCCCC3=NNC(=S)N3C4=CC=C(C=C4)C(C)CC
InChI=1SC28H36N6S2c1519(3)21111523(161221)3325(293127(33)35)9781026303228(36)34(26)24171322(141824)20(4)62h1120H510H214H3(H3135)(H3236)
MFCD03946370
ZINC000005949810
ZINC000005949856
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