Vitas-M small molecule compound

4-(4-butylphenyl)-5-{[(2-methylbenzyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK445619
SMILES CCCCc1ccc(cc1)n1c(S)nnc1CSCc1ccccc1C

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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 C21H25N3S2 MW 383.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3S2/c1-3-4-8-17-10-12-19(13-11-17)24-20(22-23-21(24)25)15-26-14-18-9-6-5-7-16(18)2/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,23,25)
InChIKey
AUWWCDYXPAAIRQ-UHFFFAOYSA-N
Synonyms

4(4butylphenyl)3((2methylphenyl)methylsulfanylmethyl)1H124triazole5thione
4(4butylphenyl)5(((2methylbenzyl)sulfanyl)methyl)4H124triazole3thiol
4(4BUTYLPHENYL)5(((2METHYLPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3C
InChI=1SC21H25N3S2c134817101219(131117)2420(222321(24)25)15261418965716(18)2h57913H3481415H212H3(H2325)
MFCD04058179
ZINC000006390658
ZINC06390658
ZINC6390658

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Available files

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