Vitas-M small molecule compound
ethyl [9-(4-ethoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Catalog ID
STL005217
SMILES CCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)OCC
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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 C22H27N5O5 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O5/c1-5-31-16-9-7-15(8-10-16)25-11-14(3)12-26-18-19(23-21(25)26)24(4)22(30)27(20(18)29)13-17(28)32-6-2/h7-10,14H,5-6,11-13H2,1-4H3InChIKey
OISQEZAAGCETRT-UHFFFAOYSA-NSynonyms
847916-62-5847916625
CCOC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OCC)C
ethyl(9(4ethoxyphenyl)17dimethyl24dioxo146789hexahydropyrimido(21f)purin3(2H)yl)acetate
ethyl2(9(4ethoxyphenyl)17dimethyl24dioxo126789hexahydropyrimido(21f)purin3(4H)yl)acetate
ETHYL2(9(4ETHOXYPHENYL)17DIMETHYL24DIOXO135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURIN3YL)ACETATE
ETHYL2(9(4ETHOXYPHENYL)17DIMETHYL24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN3YL)ACETATE
InChI=1SC22H27N5O5c1531169715(81016)251114(3)12261819(2321(25)26)24(4)22(30)27(20(18)29)1317(28)3262h71014H561113H214H3
MFCD04186196
ZINC000009160467
ZINC000009160469
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