Vitas-M small molecule compound
N-[2-(6-{(Z)-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-N-methylacetamide
Catalog ID
STL513748
SMILES COc1c(/C=C\2/C(=NC(=O)N(C2=O)c2ccccc2C)O)c(CCN(C(=O)C)C)cc2c1OCO2
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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 C25H25N3O7 MW 479.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O7/c1-14-7-5-6-8-19(14)28-24(31)18(23(30)26-25(28)32)12-17-16(9-10-27(3)15(2)29)11-20-22(21(17)33-4)35-13-34-20/h5-8,11-12H,9-10,13H2,1-4H3,(H,26,30,32)/b18-12-InChIKey
XHLNFGQJSROEDP-PDGQHHTCSA-NSynonyms
~(N)(2(7methoxy6((~(Z))(1(2methylphenyl)246trioxo13diazinan5ylidene)methyl)13benzodioxol5yl)ethyl)~(N)methylacetamide
16399677
InChI=1SC25H25N3O7c114756819(14)2824(31)18(23(30)2625(28)32)121716(91027(3)15(2)29)112022(21(17)334)35133420h581112H91013H214H3(H263032)b1812
MFCD03267901
N(2(6((Z)(4hydroxy1(2methylphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)Nmethylacetamide
ZINC000008917852
ZINC8917852
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