Vitas-M small molecule compound
(5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-({[2-(morpholin-4-ium-4-yl)ethyl]amino}methylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL050326
SMILES COc1cc(CCN2C(=O)N=C(/C(=C/NCC[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 C21H28N4O6 MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O6/c1-29-17-4-3-15(13-18(17)30-2)5-7-25-20(27)16(19(26)23-21(25)28)14-22-6-8-24-9-11-31-12-10-24/h3-4,13-14,22H,5-12H2,1-2H3,(H,23,26,28)/b16-14-InChIKey
MYWAQRHHMPXYOR-PEZBUJJGSA-NSynonyms
(5Z)1(2(34dimethoxyphenyl)ethyl)5(((2(morpholin4ium4yl)ethyl)amino)methylidene)26dioxo1256tetrahydropyrimidin4olate
(5Z)1(2(34DIMETHOXYPHENYL)ETHYL)5((2MORPHOLIN4IUM4YLETHYLAMINO)METHYLIDENE)46DIOXOPYRIMIDIN2OLATE
(5Z)1(2(34DIMETHOXYPHENYL)ETHYL)5((2MORPHOLIN4YLETHYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
COC1=C(C=C(C=C1)CCN2C(=O)C(=CNCC(NH+)3CCOCC3)C(=O)N=C2(O))OC
COc1cc(CCN2C(=O)N=C(C(=CNCC(NH+)3CCOCC3)C2=O)(O))ccc1OC
InChI=1SC21H28N4O6c129174315(1318(17)302)572520(27)16(19(26)2321(25)28)1422682491131121024h34131422H512H212H3(H232628)b1614
MFCD18249324
ZINC000019371469
ZINC19371469
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