Vitas-M small molecule compound
3-[(3-bromobenzyl)sulfanyl]-4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Catalog ID
STK484091
SMILES COc1cccc(c1)c1nnc(n1CC)SCc1cccc(c1)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 C18H18BrN3OS MW 404.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN3OS/c1-3-22-17(14-7-5-9-16(11-14)23-2)20-21-18(22)24-12-13-6-4-8-15(19)10-13/h4-11H,3,12H2,1-2H3InChIKey
QQPPPVCSTICQSB-UHFFFAOYSA-NSynonyms
3((3bromobenzyl)sulfanyl)4ethyl5(3methoxyphenyl)4H124triazole
3((3bromophenyl)methylsulfanyl)4ethyl5(3methoxyphenyl)124triazole
CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC(=CC=C3)OC
InChI=1SC18H18BrN3OSc132217(1475916(1114)232)202118(22)24121364815(19)1013h411H312H212H3
MFCD06169526
ZINC000010410264
ZINC10410264
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