Vitas-M small molecule compound

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

Catalog ID
STK594045
SMILES COc1ccc(cc1)n1c(COc2ccc(cc2)Cl)nnc1SCc1ccc(cc1)Br

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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 C23H19BrClN3O2S MW 516.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrClN3O2S/c1-29-20-12-8-19(9-13-20)28-22(14-30-21-10-6-18(25)7-11-21)26-27-23(28)31-15-16-2-4-17(24)5-3-16/h2-13H,14-15H2,1H3
InChIKey
IJGCALINEYRCQV-UHFFFAOYSA-N
Synonyms
862128-70-9
1((5((4BROMOPHENYL)METHYLTHIO)4(4METHOXYPHENYL)(124TRIAZOL3YL))METHOXY)4CHLOROBENZENE
3(((4BROMOPHENYL)METHYL)SULFANYL)5(4CHLOROPHENOXYMETHYL)4(4METHOXYPHENYL)4H124TRIAZOLE
3((4bromobenzyl)sulfanyl)5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazole
3((4bromobenzyl)thio)5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazole
3((4BROMOPHENYL)METHYLSULFANYL)5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)124TRIAZOLE
862128709
COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)COC4=CC=C(C=C4)Cl
InChI=1SC23H19BrClN3O2Sc1292012819(91320)2822(14302110618(25)71121)262723(28)3115162417(24)5316h213H1415H21H3
MFCD05687581
ZINC000002449359
ZINC02449359
ZINC2449359

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Available files

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