Vitas-M small molecule compound

2-{[5-(5-bromo-2-hydroxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethanone

Catalog ID
STL359688
SMILES CCn1c(SCC(=O)N2CCCCC2)nnc1c1cc(Br)ccc1O

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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 C17H21BrN4O2S MW 425.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21BrN4O2S/c1-2-22-16(13-10-12(18)6-7-14(13)23)19-20-17(22)25-11-15(24)21-8-4-3-5-9-21/h6-7,10,23H,2-5,8-9,11H2,1H3
InChIKey
PQSWWGDEJUNWOC-UHFFFAOYSA-N
Synonyms
896657-96-8
2((5(5bromo2hydroxyphenyl)4ethyl4H124triazol3yl)sulfanyl)1(piperidin1yl)ethanone
896657968
MFCD08068118
ZINC000009236156

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Available files

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