Vitas-M small molecule compound
(5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dioxo-5-({[2-(piperidinium-1-yl)ethyl]amino}methylidene)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STK567406
SMILES COc1cc(CCN2C(=O)N=C(/C(=C/NCC[NH+]3CCCCC3)/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 C22H30N4O5 MW 430.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O5/c1-30-18-7-6-16(14-19(18)31-2)8-12-26-21(28)17(20(27)24-22(26)29)15-23-9-13-25-10-4-3-5-11-25/h6-7,14-15,23H,3-5,8-13H2,1-2H3,(H,24,27,29)/b17-15-InChIKey
GWVSPKSDOKBWLY-ICFOKQHNSA-NSynonyms
(5Z)1(2(34dimethoxyphenyl)ethyl)26dioxo5(((2(piperidinium1yl)ethyl)amino)methylidene)1256tetrahydropyrimidin4olate
(5Z)1(2(34DIMETHOXYPHENYL)ETHYL)46DIOXO5((2PIPERIDIN1IUM1YLETHYLAMINO)METHYLIDENE)PYRIMIDIN2OLATE
(5Z)1(2(34DIMETHOXYPHENYL)ETHYL)5((2PIPERIDIN1YLETHYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
COC1=C(C=C(C=C1)CCN2C(=O)C(=CNCC(NH+)3CCCCC3)C(=O)N=C2(O))OC
COc1cc(CCN2C(=O)N=C(C(=CNCC(NH+)3CCCCC3)C2=O)(O))ccc1OC
InChI=1SC22H30N4O5c130187616(1419(18)312)8122621(28)17(20(27)2422(26)29)152391325104351125h67141523H35813H212H3(H242729)b1715
MFCD18245153
ZINC000020326709
ZINC20326709
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