Vitas-M small molecule compound
octyl 3-(6-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoate
Catalog ID
STK547856
SMILES CCCCCCCCOC(=O)CCc1c(C)[nH]c(=S)[nH]c1=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 C16H26N2O3S MW 326.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H26N2O3S/c1-3-4-5-6-7-8-11-21-14(19)10-9-13-12(2)17-16(22)18-15(13)20/h3-11H2,1-2H3,(H2,17,18,20,22)InChIKey
JKKZVBMXMRLFNS-UHFFFAOYSA-NSynonyms
497863-96-4497863964
CCCCCCCCOC(=O)CCC1=C(NC(=S)NC1=O)C
CCCCCCCCOC(=O)CCc1c(C)(nH)c(=S)(nH)c1=O
InChI=1SC16H26N2O3Sc1345678112114(19)1091312(2)1716(22)1815(13)20h311H212H3(H217182022)
MFCD03300802
OCTYL3(6METHYL4OXO2SULFANYLIDENE1HPYRIMIDIN5YL)PROPANOATE
octyl3(6methyl4oxo2thioxo1234tetrahydropyrimidin5yl)propanoate
ZINC000008686203
ZINC8686203
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.