Vitas-M small molecule compound
5-{3-[(3-bromophenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307323
SMILES CCN(CCCn1c(S)nnc1c1cccc(c1)COc1cccc(c1)Br)CC
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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 C22H27BrN4OS MW 475.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27BrN4OS/c1-3-26(4-2)12-7-13-27-21(24-25-22(27)29)18-9-5-8-17(14-18)16-28-20-11-6-10-19(23)15-20/h5-6,8-11,14-15H,3-4,7,12-13,16H2,1-2H3,(H,25,29)InChIKey
IUNZUAAUCJEPCH-UHFFFAOYSA-NSynonyms
828291-39-03(3((3BROMOPHENOXY)METHYL)PHENYL)4(3(DIETHYLAMINO)PROPYL)1H124TRIAZOLE5THIONE
5(3((3bromophenoxy)methyl)phenyl)4(3(diethylamino)propyl)4H124triazole3thiol
828291390
CCN(CC)CCCN1C(=NNC1=S)C2=CC(=CC=C2)COC3=CC(=CC=C3)Br
InChI=1SC22H27BrN4OSc1326(42)127132721(242522(27)29)1895817(1418)1628201161019(23)1520h568111415H347121316H212H3(H2529)
MFCD04130649
ZINC000002793437
ZINC2793437
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