Vitas-M small molecule compound

octyl (2E)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enoate

Catalog ID
STK722007
SMILES CCCCCCCCOC(=O)/C=C/c1c(C)[nH]c(=O)[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 C16H24N2O4 MW 308.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24N2O4/c1-3-4-5-6-7-8-11-22-14(19)10-9-13-12(2)17-16(21)18-15(13)20/h9-10H,3-8,11H2,1-2H3,(H2,17,18,20,21)/b10-9+
InChIKey
YNFOUVZWWJDXIT-MDZDMXLPSA-N
Synonyms
1164537-72-7
(E)3(24DIKETO6METHYL1HPYRIMIDIN5YL)ACRYLICACIDOCTYLESTER
(E)3(6METHYL24DIOXO1HPYRIMIDIN5YL)2PROPENOICACIDOCTYLESTER
(E)octyl3(6methyl24dioxo1234tetrahydropyrimidin5yl)acrylate
1164537727
CCCCCCCCOC(=O)C=CC1=C(NC(=O)NC1=O)C
CCCCCCCCOC(=O)C=Cc1c(C)(nH)c(=O)(nH)c1=O
InChI=1SC16H24N2O4c1345678112214(19)1091312(2)1716(21)1815(13)20h910H3811H212H3(H217182021)b109+
MFCD01471166
octyl(2E)3(6methyl24dioxo1234tetrahydropyrimidin5yl)prop2enoate
OCTYL(E)3(6METHYL24BIS(OXIDANYLIDENE)1HPYRIMIDIN5YL)PROP2ENOATE
OCTYL(E)3(6METHYL24DIOXO1HPYRIMIDIN5YL)PROP2ENOATE
ZINC000002254576
ZINC2254576

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Available files

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