Vitas-M small molecule compound
4-[7-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-9-ium-8-yl]phenolate
Catalog ID
STL052911
SMILES [O-]c1ccc(cc1)n1c(cn2c1[nH+]c1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1Cl)Cl
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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 C21H15Cl2N5O3 MW 456.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Cl2N5O3/c1-25-18-17(19(30)26(2)21(25)31)27-10-16(14-8-3-11(22)9-15(14)23)28(20(27)24-18)12-4-6-13(29)7-5-12/h3-10,29H,1-2H3InChIKey
UTYPWGJSMXMXPF-UHFFFAOYSA-NSynonyms
847163-90-0(O)c1ccc(cc1)n1c(cn2c1(nH+)c1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1Cl)Cl
4(7(24dichlorophenyl)13dimethyl24dioxo1234tetrahydro8Himidazo(21f)purin9ium8yl)phenolate
7(24DICHLOROPHENYL)6(4HYDROXYPHENYL)24DIMETHYLPURINO(78A)IMIDAZOLE13DIONE
847163900
CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)O)C5=C(C=C(C=C5)Cl)Cl
InChI=1SC21H15Cl2N5O3c1251817(19(30)26(2)21(25)31)271016(148311(22)915(14)23)28(20(27)2418)124613(29)7512h31029H12H3
MFCD04183203
ZINC000009159572
ZINC09159572
ZINC9159572
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