Vitas-M small molecule compound

methyl [9-(3,5-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate

Catalog ID
STL002977
SMILES COC(=O)Cn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1cc(C)cc(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/c1-12-6-13(2)8-15(7-12)24-9-14(3)10-25-17-18(22-20(24)25)23(4)21(29)26(19(17)28)11-16(27)30-5/h6-8,14H,9-11H2,1-5H3
InChIKey
VLMDQQGZOYXROT-UHFFFAOYSA-N
Synonyms
845805-34-7
845805347
CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=O)OC)C4=CC(=CC(=C4)C)C
InChI=1SC21H25N5O4c112613(2)815(712)24914(3)10251718(2220(24)25)23(4)21(29)26(19(17)28)1116(27)305h6814H911H215H3
methyl(9(35dimethylphenyl)17dimethyl24dioxo146789hexahydropyrimido(21f)purin3(2H)yl)acetate
methyl2(9(35dimethylphenyl)17dimethyl24dioxo126789hexahydropyrimido(21f)purin3(4H)yl)acetate
METHYL2(9(35DIMETHYLPHENYL)17DIMETHYL24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN3YL)ACETATE
MFCD04170110
ZINC000008654383
ZINC000008654384

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Available files

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