Vitas-M small molecule compound

[(3-butyl-4-methylquinolin-2-yl)sulfanyl]acetic acid

Catalog ID
STL302675
SMILES CCCCc1c(SCC(=O)O)nc2c(c1C)cccc2

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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 C16H19NO2S MW 289.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO2S/c1-3-4-7-13-11(2)12-8-5-6-9-14(12)17-16(13)20-10-15(18)19/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,19)
InChIKey
XZUFHFYWXXHXNZ-UHFFFAOYSA-N
Synonyms
497231-20-6
((3butyl4methylquinolin2yl)sulfanyl)aceticacid
2((3butyl4methylquinolin2yl)thio)aceticacid
2(3BUTYL4METHYLQUINOLIN1IUM2YL)SULFANYLACETATE
2(3BUTYL4METHYLQUINOLIN2YL)SULFANYLACETICACID
497231206
CCCCC1=C(C2=CC=CC=C2(NH+)=C1SCC(=O)(O))C
InChI=1SC16H19NO2Sc13471311(2)12856914(12)1716(13)201015(18)19h5689H34710H212H3(H1819)
MFCD03300673
ZINC000002344164
ZINC2344164

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Available files

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