Vitas-M small molecule compound

5-methyl-4-({[2-(prop-2-en-1-yloxy)naphthalen-1-yl]methyl}amino)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK511117
SMILES C=CCOc1ccc2c(c1CNn1c(C)nnc1S)cccc2

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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 C17H18N4OS MW 326.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4OS/c1-3-10-22-16-9-8-13-6-4-5-7-14(13)15(16)11-18-21-12(2)19-20-17(21)23/h3-9,18H,1,10-11H2,2H3,(H,20,23)
InChIKey
MCUCZGMIZNCSPG-UHFFFAOYSA-N
Synonyms

3METHYL4((2PROP2ENOXYNAPHTHALEN1YL)METHYLAMINO)1H124TRIAZOLE5THIONE
4(((2(ALLYLOXY)1NAPHTHYL)METHYL)AMINO)5METHYL4H124TRIAZOLE3THIOL
5methyl4(((2(prop2en1yloxy)naphthalen1yl)methyl)amino)4H124triazole3thiol
CC1=NNC(=S)N1NCC2=C(C=CC3=CC=CC=C32)OCC=C
InChI=1SC17H18N4OSc131022169813645714(13)15(16)11182112(2)192017(21)23h3918H11011H22H3(H2023)
MFCD04153136
ZINC000006974140
ZINC06974140
ZINC6974140

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.