Vitas-M small molecule compound
3-(benzylsulfanyl)-5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole
Catalog ID
STK976744
SMILES Brc1ccc(cc1)OCc1nnc(n1c1ccccc1)SCc1ccccc1
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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 C22H18BrN3OS MW 452.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3OS/c23-18-11-13-20(14-12-18)27-15-21-24-25-22(26(21)19-9-5-2-6-10-19)28-16-17-7-3-1-4-8-17/h1-14H,15-16H2InChIKey
BWEJJQYMCXXEMU-UHFFFAOYSA-NSynonyms
406190-71-43(benzylsulfanyl)5((4bromophenoxy)methyl)4phenyl4H124triazole
3(benzylthio)5((4bromophenoxy)methyl)4phenyl4H124triazole
3BENZYLSULFANYL5((4BROMOPHENOXY)METHYL)4PHENYL124TRIAZOLE
406190714
C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Br
InChI=1SC22H18BrN3OSc2318111320(141218)271521242522(26(21)1995261019)2816177314817h114H1516H2
MFCD02320574
ZINC000002363101
ZINC02363101
ZINC2363101
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