Vitas-M small molecule compound

5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STL173936
SMILES CCN(CCCn1c(COc2ccc3c(c2)ccc(c3)Br)nnc1S)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 C20H25BrN4OS MW 449.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25BrN4OS/c1-3-24(4-2)10-5-11-25-19(22-23-20(25)27)14-26-18-9-7-15-12-17(21)8-6-16(15)13-18/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,27)
InChIKey
NRYCIARRQAVDLH-UHFFFAOYSA-N
Synonyms
828280-17-7
3((6BROMONAPHTHALEN2YL)OXYMETHYL)4(3(DIETHYLAMINO)PROPYL)1H124TRIAZOLE5THIONE
5(((6bromonaphthalen2yl)oxy)methyl)4(3(diethylamino)propyl)4H124triazole3thiol
828280177
CCN(CC)CCCN1C(=NNC1=S)COC2=CC3=C(C=C2)C=C(C=C3)Br
InChI=1SC20H25BrN4OSc1324(42)105112519(222320(25)27)14261897151217(21)8616(15)1318h691213H35101114H212H3(H2327)
MFCD04129947
ZINC000035679165
ZINC35679165

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Available files

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