Vitas-M small molecule compound
3-butyl-5-(3-butyl-7,9-dichloro-2-hydroxy-4-oxo-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-5-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL042962
SMILES CCCCn1c(O)nc2c(c1=O)C(c1c(O2)c(Cl)cc(c1)Cl)c1c(=O)[nH]c(=O)n(c1[O-])CCCC
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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 C23H23Cl2N4O6 MW 522.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24Cl2N4O6/c1-3-5-7-28-20(31)15(18(30)26-22(28)33)14-12-9-11(24)10-13(25)17(12)35-19-16(14)21(32)29(8-6-4-2)23(34)27-19/h9-10,14,31H,3-8H2,1-2H3,(H,27,34)(H,26,30,33)/p-1InChIKey
PFEMFISCRWIGCS-UHFFFAOYSA-MSynonyms
3butyl5(3butyl79dichloro2hydroxy4oxo35dihydro4Hchromeno(23d)pyrimidin5yl)26dioxo1236tetrahydropyrimidin4olate
CCCCn1c(O)nc2c(c1=O)C(c1c(O2)c(Cl)cc(c1)Cl)c1c(=O)(nH)c(=O)n(c1(O))CCCC
ZINC000013576679
ZINC000013576682
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