Vitas-M small molecule compound
3-benzyl-5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole
Catalog ID
STL379446
SMILES CCn1c(nnc1Cc1ccccc1)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 C18H18BrN3S MW 388.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN3S/c1-2-22-17(12-14-6-4-3-5-7-14)20-21-18(22)23-13-15-8-10-16(19)11-9-15/h3-11H,2,12-13H2,1H3InChIKey
KGEZJPRHXHTVCG-UHFFFAOYSA-NSynonyms
3benzyl5((4bromobenzyl)sulfanyl)4ethyl4H124triazole
3BENZYL5((4BROMOPHENYL)METHYLSULFANYL)4ETHYL124TRIAZOLE
5BENZYL4ETHYL4H124TRIAZOL3YL4BROMOBENZYLSULFIDE
CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CC3=CC=CC=C3
InChI=1SC18H18BrN3Sc122217(12146435714)202118(22)23131581016(19)11915h311H21213H21H3
MFCD03862047
ZINC000000664075
ZINC00664075
ZINC664075
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