Vitas-M small molecule compound

3,3'-(butane-1,4-diyldisulfanediyl)bis[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole]

Catalog ID
STK542592
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCCCCSc1nnc(n1c1ccccc1)c1cc(OC)c(c(c1)OC)OC

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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 C38H40N6O6S2 MW 740.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H40N6O6S2/c1-45-29-21-25(22-30(46-2)33(29)49-5)35-39-41-37(43(35)27-15-9-7-10-16-27)51-19-13-14-20-52-38-42-40-36(44(38)28-17-11-8-12-18-28)26-23-31(47-3)34(50-6)32(24-26)48-4/h7-12,15-18,21-24H,13-14,19-20H2,1-6H3
InChIKey
WNLOVNWSCKWHOH-UHFFFAOYSA-N
Synonyms
489462-46-6
123TRIMETHOXY5(4PHENYL5(4(4PHENYL5(345TRIMETHOXYPHENYL)(124TRIAZOL3YLTHIO))BUTYLTHIO)(124TRIAZOL3YL))BENZENE
14BIS((4PHENYL5(345TRIMETHOXYPHENYL)4H124TRIAZOL3YL)THIO)BUTANE
33(butane14diyldisulfanediyl)bis(4phenyl5(345trimethoxyphenyl)4H124triazole)
489462466
4PHENYL3(4((4PHENYL5(345TRIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)BUTYLSULFANYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE
COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCCCCSC4=NN=C(N4C5=CC=CC=C5)C6=CC(=C(C(=C6)OC)OC)OC
InChI=1SC38H40N6O6S2c145292125(2230(462)33(29)495)35394137(43(35)271597101627)51191314205238424036(44(38)2817118121828)262331(473)34(506)32(2426)484h71215182124H13141920H216H3
MFCD03297554
ZINC000097986436
ZINC97986436

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Available files

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