Vitas-M small molecule compound

ethyl [9-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate

Catalog ID
STL006953
SMILES CCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)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 C20H22ClN5O4 MW 431.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN5O4/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,4,9-11H2,1-3H3
InChIKey
LTPJTHXITUXLBB-UHFFFAOYSA-N
Synonyms
877797-08-5
877797085
CCOC(=O)CN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)Cl)C)N(C1=O)C
ethyl(9(4chlorophenyl)17dimethyl24dioxo146789hexahydropyrimido(21f)purin3(2H)yl)acetate
ethyl2(9(4chlorophenyl)17dimethyl24dioxo126789hexahydropyrimido(21f)purin3(4H)yl)acetate
ETHYL2(9(4CHLOROPHENYL)17DIMETHYL24DIOXO135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURIN3YL)ACETATE
ETHYL2(9(4CHLOROPHENYL)17DIMETHYL24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN3YL)ACETATE
InChI=1SC20H22ClN5O4c143015(27)112618(28)1617(23(3)20(26)29)221924(912(2)1025(16)19)147513(21)6814h5812H4911H213H3
MFCD05703337
ZINC000009292816
ZINC000009292817

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Available files

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