Vitas-M small molecule compound
1-(4-iodophenyl)-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Catalog ID
STL052193
SMILES Ic1ccc(cc1)N1C(=O)N=C(C2(C1=O)C[NH+](C)c1c(C2)cc(cc1)C)[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 C20H18IN3O3 MW 475.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18IN3O3/c1-12-3-8-16-13(9-12)10-20(11-23(16)2)17(25)22-19(27)24(18(20)26)15-6-4-14(21)5-7-15/h3-9H,10-11H2,1-2H3,(H,22,25,27)InChIKey
XZPDIYVXBFJDPF-UHFFFAOYSA-NSynonyms
850160-17-71(4iodophenyl)16dimethyl26dioxo1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
850160177
Ic1ccc(cc1)N1C(=O)N=C(C2(C1=O)C(NH+)(C)c1c(C2)cc(cc1)C)(O)
MFCD18249445
ZINC000017209385
ZINC000017209388
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