Vitas-M small molecule compound

3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole

Catalog ID
STK468152
SMILES CCn1c(COc2ccc(cc2)C)nnc1SCc1ccc(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 C19H20BrN3OS MW 418.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrN3OS/c1-3-23-18(12-24-17-10-4-14(2)5-11-17)21-22-19(23)25-13-15-6-8-16(20)9-7-15/h4-11H,3,12-13H2,1-2H3
InChIKey
QTQBHENXRCCLJN-UHFFFAOYSA-N
Synonyms
848924-50-5
1((5((4BROMOPHENYL)METHYLTHIO)4ETHYL(124TRIAZOL3YL))METHOXY)4METHYLBENZENE
3(((4BROMOPHENYL)METHYL)SULFANYL)4ETHYL5(4METHYLPHENOXYMETHYL)4H124TRIAZOLE
3((4bromobenzyl)sulfanyl)4ethyl5((4methylphenoxy)methyl)4H124triazole
3((4bromobenzyl)thio)4ethyl5((ptolyloxy)methyl)4H124triazole
3((4BROMOPHENYL)METHYLSULFANYL)4ETHYL5((4METHYLPHENOXY)METHYL)124TRIAZOLE
848924505
CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)COC3=CC=C(C=C3)C
InChI=1SC19H20BrN3OSc132318(12241710414(2)51117)212219(23)2513156816(20)9715h411H31213H212H3
MFCD05677810
ZINC000002443541
ZINC02443541
ZINC2443541

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Available files

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