Vitas-M small molecule compound

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]hexanoic acid

Catalog ID
STL334262
SMILES CCCCC(C(=O)O)Sc1nc(C)cc(n1)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 C12H18N2O2S MW 254.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N2O2S/c1-4-5-6-10(11(15)16)17-12-13-8(2)7-9(3)14-12/h7,10H,4-6H2,1-3H3,(H,15,16)
InChIKey
OCUCMKVHMGZUEP-UHFFFAOYSA-N
Synonyms
127013-13-2
(2R)2((46DIMETHYLPYRIMIDIN2YL)SULFANYL)HEXANOICACID
(2S)2((46DIMETHYLPYRIMIDIN2YL)SULFANYL)HEXANOICACID
127013132
2((46dimethylpyrimidin2yl)sulfanyl)hexanoicacid
2((46dimethylpyrimidin2yl)thio)hexanoicacid
2(46DIMETHYLPYRIMIDIN2YL)SULFANYLHEXANOICACID
CCCCC(C(=O)O)SC1=NC(=CC(=N1)C)C
InChI=1SC12H18N2O2Sc145610(11(15)16)1712138(2)79(3)1412h710H46H213H3(H1516)
MFCD03293716
ZINC000002360240
ZINC000002360241

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Available files

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