Vitas-M small molecule compound

2-{[5-(5-bromo-2-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide

Catalog ID
STL354604
SMILES O=C(NC1CCCCC1)CSc1nnc(n1C)c1cc(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/c1-22-16(13-9-11(18)7-8-14(13)23)20-21-17(22)25-10-15(24)19-12-5-3-2-4-6-12/h7-9,12,23H,2-6,10H2,1H3,(H,19,24)
InChIKey
CLJOYEKGDYXZMW-UHFFFAOYSA-N
Synonyms
836665-44-2
2((5(5bromo2hydroxyphenyl)4methyl4H124triazol3yl)sulfanyl)Ncyclohexylacetamide
836665442
MFCD06631240
ZINC000009235302

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Available files

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