Vitas-M small molecule compound
ethyl [1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Catalog ID
STL002861
SMILES CCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1cccc(c1)C
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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 C21H25N5O4 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O4/c1-5-30-16(27)12-26-19(28)17-18(23(4)21(26)29)22-20-24(10-14(3)11-25(17)20)15-8-6-7-13(2)9-15/h6-9,14H,5,10-12H2,1-4H3InChIKey
FHFXTLORCJMJPC-UHFFFAOYSA-NSynonyms
844447-29-6844447296
CCOC(=O)CN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=CC(=C4)C)C)N(C1=O)C
ethyl(17dimethyl9(3methylphenyl)24dioxo146789hexahydropyrimido(21f)purin3(2H)yl)acetate
ethyl2(17dimethyl24dioxo9(mtolyl)126789hexahydropyrimido(21f)purin3(4H)yl)acetate
ETHYL2(17DIMETHYL9(3METHYLPHENYL)24DIOXO135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURIN3YL)ACETATE
ETHYL2(17DIMETHYL9(3METHYLPHENYL)24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN3YL)ACETATE
InChI=1SC21H25N5O4c153016(27)122619(28)1718(23(4)21(26)29)222024(1014(3)1125(17)20)1586713(2)915h6914H51012H214H3
MFCD04154990
ZINC000012556913
ZINC000012556914
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