Vitas-M small molecule compound

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

Catalog ID
STK021740
SMILES COc1ccc(cc1)n1c(SCc2ccccc2Cl)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 C26H26ClN3OS MW 464.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3OS/c1-26(2,3)20-11-9-18(10-12-20)24-28-29-25(32-17-19-7-5-6-8-23(19)27)30(24)21-13-15-22(31-4)16-14-21/h5-16H,17H2,1-4H3
InChIKey
OYQHFVSBXRUTGF-UHFFFAOYSA-N
Synonyms
499103-38-7
1(5(4(TERTBUTYL)PHENYL)3((2CHLOROPHENYL)METHYLTHIO)(124TRIAZOL4YL))4METHOXYBENZENE
3(4(tertbutyl)phenyl)5((2chlorobenzyl)thio)4(4methoxyphenyl)4H124triazole
3(4TERTBUTYLPHENYL)5(((2CHLOROPHENYL)METHYL)SULFANYL)4(4METHOXYPHENYL)4H124TRIAZOLE
3(4TERTBUTYLPHENYL)5((2CHLOROBENZYL)SULFANYL)4(4METHOXYPHENYL)4H124TRIAZOLE
3(4TERTBUTYLPHENYL)5((2CHLOROPHENYL)METHYLSULFANYL)4(4METHOXYPHENYL)124TRIAZOLE
499103387
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=CC=C4Cl
COc1ccc(cc1)n1c(SCc2ccccc2Cl)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC26H26ClN3OSc126(23)2011918(101220)24282925(321719756823(19)27)30(24)21131522(314)161421h516H17H214H3
MFCD03224025
STK021740
ZINC000002390701
ZINC02390701
ZINC2390701

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Available files

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