Vitas-M small molecule compound
ethyl [9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Catalog ID
STL006230
SMILES CCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)Br
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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 C20H22BrN5O4 MW 476.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrN5O4/c1-4-30-15(27)11-26-18(28)16-17(23(3)20(26)29)22-19-24(9-12(2)10-25(16)19)14-7-5-13(21)6-8-14/h5-8,12H,4,9-11H2,1-3H3InChIKey
GSPNWNICPCGGQE-UHFFFAOYSA-NSynonyms
849922-96-9849922969
CCOC(=O)CN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)Br)C)N(C1=O)C
ethyl(9(4bromophenyl)17dimethyl24dioxo146789hexahydropyrimido(21f)purin3(2H)yl)acetate
ethyl2(9(4bromophenyl)17dimethyl24dioxo126789hexahydropyrimido(21f)purin3(4H)yl)acetate
ETHYL2(9(4BROMOPHENYL)17DIMETHYL24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN3YL)ACETATE
InChI=1SC20H22BrN5O4c143015(27)112618(28)1617(23(3)20(26)29)221924(912(2)1025(16)19)147513(21)6814h5812H4911H213H3
MFCD05689545
ZINC000002216616
ZINC000009308686
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