Vitas-M small molecule compound
benzyl [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
STL343243
SMILES CCc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=O)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 C27H29N5O4 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O4/c1-4-19-10-12-21(13-11-19)30-14-18(2)15-31-23-24(28-26(30)31)29(3)27(35)32(25(23)34)16-22(33)36-17-20-8-6-5-7-9-20/h5-13,18H,4,14-17H2,1-3H3InChIKey
YVIIGOUQUJYABZ-UHFFFAOYSA-NSynonyms
844834-04-4844834044
benzyl(9(4ethylphenyl)17dimethyl24dioxo146789hexahydropyrimido(21f)purin3(2H)yl)acetate
benzyl2(9(4ethylphenyl)17dimethyl24dioxo126789hexahydropyrimido(21f)purin3(4H)yl)acetate
BENZYL2(9(4ETHYLPHENYL)17DIMETHYL24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN3YL)ACETATE
CCC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OCC5=CC=CC=C5)C
InChI=1SC27H29N5O4c1419101221(131119)301418(2)15312324(2826(30)31)29(3)27(35)32(25(23)34)1622(33)3617208657920h51318H41417H213H3
MFCD04163721
PHENYLMETHYL2(9(4ETHYLPHENYL)17DIMETHYL24DIOXO135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURIN3YL)ACETATE
ZINC000009282142
ZINC000009282143
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