Vitas-M small molecule compound

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

Catalog ID
STK306278
SMILES CN(CCCn1c(COc2ccc3c(c2)ccc(c3)Br)nnc1S)C

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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 C18H21BrN4OS MW 421.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21BrN4OS/c1-22(2)8-3-9-23-17(20-21-18(23)25)12-24-16-7-5-13-10-15(19)6-4-14(13)11-16/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,25)
InChIKey
ZSFFSLRUHXBDKM-UHFFFAOYSA-N
Synonyms
828277-65-2
3((6BROMONAPHTHALEN2YL)OXYMETHYL)4(3(DIMETHYLAMINO)PROPYL)1H124TRIAZOLE5THIONE
5(((6bromonaphthalen2yl)oxy)methyl)4(3(dimethylamino)propyl)4H124triazole3thiol
5((6bromonaphthalen2yl)oxymethyl)4(3(dimethylazaniumyl)propyl)124triazole3thiolate
828277652
C(NH+)(C)CCCN1C(=NN=C1(S))COC2=CC3=C(C=C2)C=C(C=C3)Br
InChI=1SC18H21BrN4OSc122(2)8392317(202118(23)25)12241675131015(19)6414(13)1116h471011H38912H212H3(H2125)
MFCD04056271
ZINC000020028566
ZINC20028566

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Available files

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