Vitas-M small molecule compound

2-{5-[(4-bromobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}phenol

Catalog ID
STL297337
SMILES C=CCn1c(SCc2ccc(cc2)Br)nnc1c1ccccc1O

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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 C18H16BrN3OS MW 402.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3OS/c1-2-11-22-17(15-5-3-4-6-16(15)23)20-21-18(22)24-12-13-7-9-14(19)10-8-13/h2-10,23H,1,11-12H2
InChIKey
JJDNIFDLPJKOER-UHFFFAOYSA-N
Synonyms

2(5((4bromobenzyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)phenol
MFCD05989519
ZINC000002852857

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Available files

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