Vitas-M small molecule compound

4-methyl-3-{[(1-methylnaphthalen-2-yl)oxy]methyl}-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole

Catalog ID
STK246031
SMILES Cc1c(ccc2c1cccc2)OCc1nnc(n1C)SCCOc1ccccc1

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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 C23H23N3O2S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O2S/c1-17-20-11-7-6-8-18(20)12-13-21(17)28-16-22-24-25-23(26(22)2)29-15-14-27-19-9-4-3-5-10-19/h3-13H,14-16H2,1-2H3
InChIKey
NGCATMVRZJXFDV-UHFFFAOYSA-N
Synonyms

4METHYL3(((1METHYLNAPHTHALEN2YL)OXY)METHYL)5((2PHENOXYETHYL)SULFANYL)4H124TRIAZOLE
4METHYL3((1METHYLNAPHTHALEN2YL)OXYMETHYL)5(2PHENOXYETHYLSULFANYL)124TRIAZOLE
CC1=C(C=CC2=CC=CC=C12)OCC3=NN=C(N3C)SCCOC4=CC=CC=C4
InChI=1SC23H23N3O2Sc117201176818(20)121321(17)281622242523(26(22)2)291514271994351019h313H1416H212H3
MFCD08670910
ZINC000007341778
ZINC07341778
ZINC7341778

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Available files

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