Vitas-M small molecule compound

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

Catalog ID
STK112296
SMILES COc1ccc(cc1)n1c(nnc1Cc1ccccc1)SCc1ccc(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 C23H20BrN3OS MW 466.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrN3OS/c1-28-21-13-11-20(12-14-21)27-22(15-17-5-3-2-4-6-17)25-26-23(27)29-16-18-7-9-19(24)10-8-18/h2-14H,15-16H2,1H3
InChIKey
CWOFCVZSRYQUQB-UHFFFAOYSA-N
Synonyms

3BENZYL5((4BROMOBENZYL)SULFANYL)4(4METHOXYPHENYL)4H124TRIAZOLE
3BENZYL5((4BROMOPHENYL)METHYLSULFANYL)4(4METHOXYPHENYL)124TRIAZOLE
4(3BENZYL5((4BROMOBENZYL)SULFANYL)4H124TRIAZOL4YL)PHENYLMETHYLETHER
COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC=CC=C4
InChI=1SC23H20BrN3OSc12821131120(121421)2722(15175324617)252623(27)2916187919(24)10818h214H1516H21H3
MFCD03862217
ZINC000002093400
ZINC02093400
ZINC2093400

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Available files

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