Vitas-M small molecule compound
3-[(4-bromobenzyl)sulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole
Catalog ID
STK155627
SMILES CCOc1cc(C)ccc1OCc1nnc(n1CC)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 C21H24BrN3O2S MW 462.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrN3O2S/c1-4-25-20(13-27-18-11-6-15(3)12-19(18)26-5-2)23-24-21(25)28-14-16-7-9-17(22)10-8-16/h6-12H,4-5,13-14H2,1-3H3InChIKey
NNEDSAKOBZDOLX-UHFFFAOYSA-NSynonyms
3((4BROMOBENZYL)SULFANYL)5((2ETHOXY4METHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOLE
3((4BROMOPHENYL)METHYLSULFANYL)5((2ETHOXY4METHYLPHENOXY)METHYL)4ETHYL124TRIAZOLE
CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)COC3=C(C=C(C=C3)C)OCC
InChI=1SC21H24BrN3O2Sc142520(13271811615(3)1219(18)2652)232421(25)2814167917(22)10816h612H451314H213H3
MFCD06621325
ZINC000002859279
ZINC02859279
ZINC2859279
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