Vitas-M small molecule compound

4-(1-benzyl-1H-pyrazol-4-yl)-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK311062
SMILES Cc1ccccc1OCc1nnc(n1c1cnn(c1)Cc1ccccc1)S

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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 C20H19N5OS MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5OS/c1-15-7-5-6-10-18(15)26-14-19-22-23-20(27)25(19)17-11-21-24(13-17)12-16-8-3-2-4-9-16/h2-11,13H,12,14H2,1H3,(H,23,27)
InChIKey
WHJOZEMETXZQAZ-UHFFFAOYSA-N
Synonyms
1005664-51-6
1005664516
4(1benzyl1Hpyrazol4yl)5((2methylphenoxy)methyl)4H124triazole3thiol
4(1benzylpyrazol4yl)3((2methylphenoxy)methyl)1H124triazole5thione
CC1=CC=CC=C1OCC2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4
InChI=1SC20H19N5OSc1157561018(15)261419222320(27)25(19)17112124(1317)12168324916h21113H1214H21H3(H2327)
MFCD04059013
ZINC000002808372
ZINC02808372
ZINC2808372

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Available files

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