Vitas-M small molecule compound
3-butyl-5-(3-butyl-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
STL058243
SMILES CCCCn1c(O)nc2c(c1=O)C(c1c(O2)cccc1)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 C23H25N4O6 MW 453.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O6/c1-3-5-11-26-20(29)16(18(28)24-22(26)31)15-13-9-7-8-10-14(13)33-19-17(15)21(30)27(12-6-4-2)23(32)25-19/h7-10,15,29H,3-6,11-12H2,1-2H3,(H,25,32)(H,24,28,31)/p-1InChIKey
TYCOFIBCWZLBHZ-UHFFFAOYSA-MSynonyms
3BUTYL5(3BUTYL24DIOXO15DIHYDROCHROMENO(23D)PYRIMIDIN5YL)26DIOXOPYRIMIDIN4OLATE
3butyl5(3butyl2hydroxy4oxo35dihydro4Hchromeno(23d)pyrimidin5yl)26dioxo1236tetrahydropyrimidin4olate
CCCCN1C(=C(C(=O)NC1=O)C2C3=CC=CC=C3OC4=C2C(=O)N(C(=O)N4)CCCC)(O)
CCCCn1c(O)nc2c(c1=O)C(c1c(O2)cccc1)c1c(=O)(nH)c(=O)n(c1(O))CCCC
InChI=1SC23H26N4O6c135112620(29)16(18(28)2422(26)31)15139781014(13)331917(15)21(30)27(12642)23(32)2519h7101529H361112H212H3(H2532)(H242831)p1
ZINC000018039704
ZINC000018039706
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