Vitas-M small molecule compound

[(4,6-dihydroxy-5-propylpyrimidin-2-yl)sulfanyl]acetic acid

Catalog ID
STL045585
SMILES CCCc1c(O)nc(nc1O)SCC(=O)O

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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 C9H12N2O4S MW 244.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12N2O4S/c1-2-3-5-7(14)10-9(11-8(5)15)16-4-6(12)13/h2-4H2,1H3,(H,12,13)(H2,10,11,14,15)
InChIKey
KBUQJVWITUTFKU-UHFFFAOYSA-N
Synonyms
423753-15-5
((46dihydroxy5propylpyrimidin2yl)sulfanyl)aceticacid
((4HYDROXY6OXO5PROPYL1HPYRIMIDIN2YL)SULFANYL)ACETICACID
(4HYDROXY6OXO5PROPYL16DIHYDROPYRIMIDIN2YLSULFANYL)ACETICACID
2((4HYDROXY6OXO5PROPYL1HPYRIMIDIN2YL)SULFANYL)ACETICACID
2(6HYDROXY4OXO5PROPYL3HYDROPYRIMIDIN2YLTHIO)ACETICACID
423753155
CCCC1=C(N=C(NC1=O)SCC(=O)O)O
InChI=1SC9H12N2O4Sc12357(14)109(118(5)15)1646(12)13h24H21H3(H1213)(H210111415)
MFCD03817601
ZINC000009057262
ZINC9057262

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Available files

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