Vitas-M small molecule compound

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

Catalog ID
STK577849
SMILES COc1ccc(cc1)n1c(nnc1SCc1c(Cl)cccc1Cl)COc1ccc(cc1)Cl

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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 C23H18Cl3N3O2S MW 506.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18Cl3N3O2S/c1-30-17-11-7-16(8-12-17)29-22(13-31-18-9-5-15(24)6-10-18)27-28-23(29)32-14-19-20(25)3-2-4-21(19)26/h2-12H,13-14H2,1H3
InChIKey
IJRSHCSTRVWGDJ-UHFFFAOYSA-N
Synonyms
862184-75-6
1((5((26DICHLOROPHENYL)METHYLTHIO)4(4METHOXYPHENYL)(124TRIAZOL3YL))METHOXY)4CHLOROBENZENE
3((4chlorophenoxy)methyl)5((26dichlorobenzyl)sulfanyl)4(4methoxyphenyl)4H124triazole
3((4chlorophenoxy)methyl)5((26dichlorobenzyl)thio)4(4methoxyphenyl)4H124triazole
3((4CHLOROPHENOXY)METHYL)5((26DICHLOROPHENYL)METHYLSULFANYL)4(4METHOXYPHENYL)124TRIAZOLE
3(4CHLOROPHENOXYMETHYL)5(((26DICHLOROPHENYL)METHYL)SULFANYL)4(4METHOXYPHENYL)4H124TRIAZOLE
862184756
COC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)Cl)COC4=CC=C(C=C4)Cl
InChI=1SC23H18Cl3N3O2Sc1301711716(81217)2922(1331189515(24)61018)272823(29)32141920(25)32421(19)26h212H1314H21H3
MFCD05687840
ZINC000009309498
ZINC09309498
ZINC9309498

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Available files

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