Vitas-M small molecule compound
5-{(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STK526741
SMILES COc1ccc(cc1C[NH+]1CCCC1)C(c1c(O)[nH]c(=O)[nH]c1=O)c1c([O-])[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 C21H23N5O7 MW 457.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O7/c1-33-12-5-4-10(8-11(12)9-26-6-2-3-7-26)13(14-16(27)22-20(31)23-17(14)28)15-18(29)24-21(32)25-19(15)30/h4-5,8,13H,2-3,6-7,9H2,1H3,(H3,22,23,27,28,31)(H3,24,25,29,30,32)InChIKey
IIZHYLBFDMITBO-UHFFFAOYSA-NSynonyms
5((6hydroxy24dioxo1234tetrahydropyrimidin5yl)(4methoxy3(pyrrolidin1ium1ylmethyl)phenyl)methyl)26dioxo1236tetrahydropyrimidin4olate
5((6hydroxy24dioxo1234tetrahydropyrimidin5yl)(4methoxy3(pyrrolidinium1ylmethyl)phenyl)methyl)26dioxo1236tetrahydropyrimidin4olate
5((6HYDROXY24DIOXO1HPYRIMIDIN5YL)(4METHOXY3(PYRROLIDIN1IUM1YLMETHYL)PHENYL)METHYL)24DIOXO1HPYRIMIDIN6OLATE
6HYDROXY5((6HYDROXY24DIOXO1HPYRIMIDIN5YL)(4METHOXY3(PYRROLIDIN1YLMETHYL)PHENYL)METHYL)1HPYRIMIDINE24DIONE
COC1=C(C=C(C=C1)C(C2=C(NC(=O)NC2=O)O)C3=C(NC(=O)NC3=O)(O))C(NH+)4CCCC4
COc1ccc(cc1C(NH+)1CCCC1)C(c1c(O)(nH)c(=O)(nH)c1=O)c1c((O))(nH)c(=O)(nH)c1=O
InChI=1SC21H23N5O7c133125410(811(12)926623726)13(1416(27)2220(31)2317(14)28)1518(29)2421(32)2519(15)30h45813H23679H21H3(H32223272831)(H32425293032)
MFCD18241564
ZINC000009310746
ZINC9310746
Check stock
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Check stock on Vitas-MAvailable files
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