Vitas-M small molecule compound

4-(4-chlorophenyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole

Catalog ID
STK052548
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCc1c(Cl)cccc1Cl

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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 C22H16Cl3N3OS MW 476.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl3N3OS/c1-29-17-11-5-14(6-12-17)21-26-27-22(28(21)16-9-7-15(23)8-10-16)30-13-18-19(24)3-2-4-20(18)25/h2-12H,13H2,1H3
InChIKey
REUJXSKDUPHGOD-UHFFFAOYSA-N
Synonyms
476484-40-9
1(5((26DICHLOROPHENYL)METHYLTHIO)4(4CHLOROPHENYL)(124TRIAZOL3YL))4METHOXYBENZENE
4(4CHLOROPHENYL)3(((26DICHLOROPHENYL)METHYL)SULFANYL)5(4METHOXYPHENYL)4H124TRIAZOLE
4(4CHLOROPHENYL)3((26DICHLOROBENZYL)SULFANYL)5(4METHOXYPHENYL)4H124TRIAZOLE
4(4CHLOROPHENYL)3((26DICHLOROBENZYL)THIO)5(4METHOXYPHENYL)4H124TRIAZOLE
4(4CHLOROPHENYL)3((26DICHLOROPHENYL)METHYLSULFANYL)5(4METHOXYPHENYL)124TRIAZOLE
476484409
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=C(C=CC=C4Cl)Cl
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCc1c(Cl)cccc1Cl
InChI=1SC22H16Cl3N3OSc1291711514(61217)21262722(28(21)169715(23)81016)30131819(24)32420(18)25h212H13H21H3
MFCD03473613
STK052548
ZINC000002261214
ZINC02261214
ZINC2261214

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Available files

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