Vitas-M small molecule compound
methyl [9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Catalog ID
STL006588
SMILES COC(=O)Cn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)CC
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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/c1-5-14-6-8-15(9-7-14)24-10-13(2)11-25-17-18(22-20(24)25)23(3)21(29)26(19(17)28)12-16(27)30-4/h6-9,13H,5,10-12H2,1-4H3InChIKey
QJMJMPJKSCRLBX-UHFFFAOYSA-NSynonyms
848736-49-2848736492
CCC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OC)C
InChI=1SC21H25N5O4c15146815(9714)241013(2)11251718(2220(24)25)23(3)21(29)26(19(17)28)1216(27)304h6913H51012H214H3
methyl(9(4ethylphenyl)17dimethyl24dioxo146789hexahydropyrimido(21f)purin3(2H)yl)acetate
methyl2(9(4ethylphenyl)17dimethyl24dioxo126789hexahydropyrimido(21f)purin3(4H)yl)acetate
METHYL2(9(4ETHYLPHENYL)17DIMETHYL24DIOXO135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURIN3YL)ACETATE
METHYL2(9(4ETHYLPHENYL)17DIMETHYL24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN3YL)ACETATE
MFCD04194587
ZINC000013533738
ZINC000013533742
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