Vitas-M small molecule compound
5-{(2,4-dihydroxy-6-oxo-1-phenyl-1,6-dihydropyrimidin-5-yl)[4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-2,6-dioxo-1-phenyl-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL046890
SMILES COc1ccc(cc1C[NH+]1CCCCC1)C(c1c([O-])[nH]c(=O)n(c1=O)c1ccccc1)c1c(O)nc(n(c1=O)c1ccccc1)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 C34H33N5O7 MW 623.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N5O7/c1-46-25-16-15-21(19-22(25)20-37-17-9-4-10-18-37)26(27-29(40)35-33(44)38(31(27)42)23-11-5-2-6-12-23)28-30(41)36-34(45)39(32(28)43)24-13-7-3-8-14-24/h2-3,5-8,11-16,19,26,40-41H,4,9-10,17-18,20H2,1H3,(H,35,44)(H,36,45)InChIKey
CAONBNRJGMVDMI-UHFFFAOYSA-NSynonyms
5((24dihydroxy6oxo1phenyl16dihydropyrimidin5yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)26dioxo1phenyl1236tetrahydropyrimidin4olate
COc1ccc(cc1C(NH+)1CCCCC1)C(c1c((O))(nH)c(=O)n(c1=O)c1ccccc1)c1c(O)nc(n(c1=O)c1ccccc1)O
MFCD18248947
ZINC000102882278
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