Vitas-M small molecule compound

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

Catalog ID
STL005894
SMILES O=C(Cn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)Cc1ccccc1)OCc1ccccc1

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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 C25H25N5O4 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O4/c1-27-22-21(29-14-8-13-28(24(29)26-22)15-18-9-4-2-5-10-18)23(32)30(25(27)33)16-20(31)34-17-19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3
InChIKey
UHLHHVRGVIWOMF-UHFFFAOYSA-N
Synonyms
850728-36-8
850728368
benzyl(9benzyl1methyl24dioxo146789hexahydropyrimido(21f)purin3(2H)yl)acetate
benzyl2(9benzyl1methyl24dioxo126789hexahydropyrimido(21f)purin3(4H)yl)acetate
BENZYL2(9BENZYL1METHYL24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN3YL)ACETATE
CN1C2=C(C(=O)N(C1=O)CC(=O)OCC3=CC=CC=C3)N4CCCN(C4=N2)CC5=CC=CC=C5
InChI=1SC25H25N5O4c1272221(291481328(24(29)2622)151894251018)23(32)30(25(27)33)1620(31)341719116371219h27912H81317H21H3
MFCD05692738
ZINC000008642841
ZINC08642841
ZINC8642841

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Available files

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