Vitas-M small molecule compound

3-(benzylsulfanyl)-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole

Catalog ID
STK018558
SMILES COc1ccc(cc1)n1c(SCc2ccccc2)nnc1c1ccc(cc1)C(C)(C)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 C26H27N3OS MW 429.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3OS/c1-26(2,3)21-12-10-20(11-13-21)24-27-28-25(31-18-19-8-6-5-7-9-19)29(24)22-14-16-23(30-4)17-15-22/h5-17H,18H2,1-4H3
InChIKey
RRVXUTJXRBHWSH-UHFFFAOYSA-N
Synonyms
499103-20-7
1(5(4(TERTBUTYL)PHENYL)3(PHENYLMETHYLTHIO)(124TRIAZOL4YL))4METHOXYBENZENE
3(BENZYLSULFANYL)5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOLE
3(benzylthio)5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazole
3BENZYLSULFANYL5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOLE
499103207
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=CC=C4
COc1ccc(cc1)n1c(SCc2ccccc2)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC26H27N3OSc126(23)21121020(111321)24272825(3118198657919)29(24)22141623(304)171522h517H18H214H3
MFCD03224005
STK018558
ZINC000002373315
ZINC02373315
ZINC2373315

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.