Vitas-M small molecule compound
1-(4-bromophenyl)-2-({5-[(3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STL123020
SMILES CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1COc1cc(C)cc(c1)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 C21H22BrN3O2S MW 460.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN3O2S/c1-4-25-20(12-27-18-10-14(2)9-15(3)11-18)23-24-21(25)28-13-19(26)16-5-7-17(22)8-6-16/h5-11H,4,12-13H2,1-3H3InChIKey
TZXKTLJVKGIRDS-UHFFFAOYSA-NSynonyms
1(4BROMOPHENYL)2((5((35DIMETHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(4bromophenyl)2((5((35dimethylphenoxy)methyl)4ethyl4H124triazol3yl)sulfanyl)ethanone
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)COC3=CC(=CC(=C3)C)C
InChI=1SC21H22BrN3O2Sc142520(1227181014(2)915(3)1118)232421(25)281319(26)165717(22)8616h511H41213H213H3
MFCD06624248
ZINC000002872181
ZINC02872181
ZINC2872181
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