Vitas-M small molecule compound

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

Catalog ID
STL004410
SMILES O=C(Cn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)C)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/c1-17-9-11-19(12-10-17)28-13-6-14-29-21-22(26-24(28)29)27(2)25(33)30(23(21)32)15-20(31)34-16-18-7-4-3-5-8-18/h3-5,7-12H,6,13-16H2,1-2H3
InChIKey
BZOLMQSFDQXCNI-UHFFFAOYSA-N
Synonyms
844465-78-7
844465787
benzyl(1methyl9(4methylphenyl)24dioxo146789hexahydropyrimido(21f)purin3(2H)yl)acetate
benzyl2(1methyl24dioxo9(ptolyl)126789hexahydropyrimido(21f)purin3(4H)yl)acetate
BENZYL2(1METHYL9(4METHYLPHENYL)24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN3YL)ACETATE
CC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OCC5=CC=CC=C5
InChI=1SC25H25N5O4c11791119(121017)2813614292122(2624(28)29)27(2)25(33)30(23(21)32)1520(31)3416187435818h35712H61316H212H3
MFCD04157974
PHENYLMETHYL2(1METHYL9(4METHYLPHENYL)24DIOXO135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURIN3YL)ACETATE
ZINC000009192488
ZINC09192488
ZINC9192488

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Available files

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