Vitas-M small molecule compound
(5Z)-1-(4-methoxyphenyl)-2,6-dioxo-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolinium-9-ylmethylidene)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL054475
SMILES COc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc3CCC[NH+]4c3c(c2)CCC4)/C1=O)[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 C24H23N3O4 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O4/c1-31-19-8-6-18(7-9-19)27-23(29)20(22(28)25-24(27)30)14-15-12-16-4-2-10-26-11-3-5-17(13-15)21(16)26/h6-9,12-14H,2-5,10-11H2,1H3,(H,25,28,30)/b20-14-InChIKey
XXJNFMPULMCXBX-ZHZULCJRSA-NSynonyms
877810-18-9(5Z)1(4methoxyphenyl)26dioxo5(2367tetrahydro1H5Hpyrido(321ij)quinolinium9ylmethylidene)1256tetrahydropyrimidin4olate
877810189
COc1ccc(cc1)N1C(=O)N=C(C(=Cc2cc3CCC(NH+)4c3c(c2)CCC4)C1=O)(O)
MFCD18249608
ZINC000009477832
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