Vitas-M small molecule compound
(5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-({[3-(morpholin-4-ium-4-yl)propyl]amino}methylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL053316
SMILES COc1cc(CCN2C(=O)N=C(/C(=C/NCCC[NH+]3CCOCC3)/C2=O)[O-])ccc1OC
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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 C22H30N4O6 MW 446.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O6/c1-30-18-5-4-16(14-19(18)31-2)6-9-26-21(28)17(20(27)24-22(26)29)15-23-7-3-8-25-10-12-32-13-11-25/h4-5,14-15,23H,3,6-13H2,1-2H3,(H,24,27,29)/b17-15-InChIKey
MQOJRQHCXBITPP-ICFOKQHNSA-NSynonyms
(5Z)1(2(34dimethoxyphenyl)ethyl)5(((3(morpholin4ium4yl)propyl)amino)methylidene)26dioxo1256tetrahydropyrimidin4olate
(5Z)1(2(34dimethoxyphenyl)ethyl)5((3morpholin4ium4ylpropylamino)methylidene)46dioxopyrimidin2olate
(5Z)1(2(34DIMETHOXYPHENYL)ETHYL)5((3MORPHOLIN4YLPROPYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
COC1=C(C=C(C=C1)CCN2C(=O)C(=CNCCC(NH+)3CCOCC3)C(=O)N=C2(O))OC
COc1cc(CCN2C(=O)N=C(C(=CNCCC(NH+)3CCOCC3)C2=O)(O))ccc1OC
InChI=1SC22H30N4O6c130185416(1419(18)312)692621(28)17(20(27)2422(26)29)152373825101232131125h45141523H3613H212H3(H242729)b1715
MFCD18249528
ZINC000020292515
ZINC20292515
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