Vitas-M small molecule compound
(5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-({[3-(dimethylammonio)propyl]amino}methylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STK570097
SMILES COc1cc(CCN2C(=O)N=C(/C(=C/NCCC[NH+](C)C)/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 C20H28N4O5 MW 404.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O5/c1-23(2)10-5-9-21-13-15-18(25)22-20(27)24(19(15)26)11-8-14-6-7-16(28-3)17(12-14)29-4/h6-7,12-13,21H,5,8-11H2,1-4H3,(H,22,25,27)/b15-13-InChIKey
FFGIRUSSEVGZKZ-SQFISAMPSA-NSynonyms
(5Z)1(2(34dimethoxyphenyl)ethyl)5(((3(dimethylammonio)propyl)amino)methylidene)26dioxo1256tetrahydropyrimidin4olate
(5Z)1(2(34DIMETHOXYPHENYL)ETHYL)5((3(DIMETHYLAMINO)PROPYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(2(34DIMETHOXYPHENYL)ETHYL)5((3(DIMETHYLAZANIUMYL)PROPYLAMINO)METHYLIDENE)46DIOXOPYRIMIDIN2OLATE
CN(C)CCCNC=C1C(=O)NC(=O)N(C1=O)CCC2=CC(=C(C=C2)OC)OC
COc1cc(CCN2C(=O)N=C(C(=CNCCC(NH+)(C)C)C2=O)(O))ccc1OC
InChI=1SC20H28N4O5c123(2)105921131518(25)2220(27)24(19(15)26)118146716(283)17(1214)294h67121321H5811H214H3(H222527)b1513
MFCD18245336
ZINC000001828137
ZINC1828137
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