Vitas-M small molecule compound

[(3-butyl-2,6-dimethylquinolin-4-yl)sulfanyl]acetic acid

Catalog ID
STK711558
SMILES CCCCc1c(C)nc2c(c1SCC(=O)O)cc(cc2)C

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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 C17H21NO2S MW 303.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO2S/c1-4-5-6-13-12(3)18-15-8-7-11(2)9-14(15)17(13)21-10-16(19)20/h7-9H,4-6,10H2,1-3H3,(H,19,20)
InChIKey
BGAPXLBVKGXGLH-UHFFFAOYSA-N
Synonyms
373377-79-8
((3butyl26dimethylquinolin4yl)sulfanyl)aceticacid
2((3butyl26dimethylquinolin4yl)thio)aceticacid
2(3BUTYL26DIMETHYLQUINOLIN1IUM4YL)SULFANYLACETATE
2(3BUTYL26DIMETHYLQUINOLIN4YL)SULFANYLACETICACID
373377798
CCCCC1=C(C2=C(C=CC(=C2)C)N=C1C)SCC(=O)O
InChI=1SC17H21NO2Sc14561312(3)18158711(2)914(15)17(13)211016(19)20h79H4610H213H3(H1920)
MFCD01947478
ZINC000002280858
ZINC2280858

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Available files

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