Vitas-M small molecule compound

3-[(4-bromobenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole

Catalog ID
STK045292
SMILES COc1ccc(cc1)n1c(nnc1c1ccc(cc1)C(C)(C)C)SCc1ccc(cc1)Br

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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 C26H26BrN3OS MW 508.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrN3OS/c1-26(2,3)20-9-7-19(8-10-20)24-28-29-25(32-17-18-5-11-21(27)12-6-18)30(24)22-13-15-23(31-4)16-14-22/h5-16H,17H2,1-4H3
InChIKey
AEPDSKUWXPDCMF-UHFFFAOYSA-N
Synonyms
499103-36-5
1(5(4(TERTBUTYL)PHENYL)3((4BROMOPHENYL)METHYLTHIO)(124TRIAZOL4YL))4METHOXYBENZENE
3(((4BROMOPHENYL)METHYL)SULFANYL)5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOLE
3((4BROMOBENZYL)SULFANYL)5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOLE
3((4bromobenzyl)thio)5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazole
3((4BROMOPHENYL)METHYLSULFANYL)5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOLE
499103365
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)Br
COc1ccc(cc1)n1c(nnc1c1ccc(cc1)C(C)(C)C)SCc1ccc(cc1)Br
InChI=1SC26H26BrN3OSc126(23)209719(81020)24282925(32171851121(27)12618)30(24)22131523(314)161422h516H17H214H3
MFCD03474111
STK045292
ZINC000001903216
ZINC01903216
ZINC1903216

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Available files

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