Vitas-M small molecule compound
ethyl [10-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1,2,4,6,7,8,9,10-octahydro-3H-[1,3]diazepino[2,1-f]purin-3-yl]acetate
Catalog ID
STK852809
SMILES CCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n1CCCCN(c1n2)c1ccc(cc1)OCC
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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 C22H27N5O5 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O5/c1-4-31-16-10-8-15(9-11-16)25-12-6-7-13-26-18-19(23-21(25)26)24(3)22(30)27(20(18)29)14-17(28)32-5-2/h8-11H,4-7,12-14H2,1-3H3InChIKey
JBLFFXQCOMYZFB-UHFFFAOYSA-NSynonyms
382639-99-8382639998
CCOC1=CC=C(C=C1)N2CCCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OCC
ethyl(10(4ethoxyphenyl)1methyl24dioxo124678910octahydro3H(13)diazepino(21f)purin3yl)acetate
ETHYL2(10(4ETHOXYPHENYL)1METHYL24DIOXO135TRIHYDRO6H7H8H9H13DIAZAPERHYDROEPINO(12H)PURIN3YL)ACETATE
ethyl2(10(4ethoxyphenyl)1methyl24dioxo6789tetrahydropurino(78a)(13)diazepin3yl)acetate
ethyl2(10(4ethoxyphenyl)1methyl24dioxo78910tetrahydro1H(13)diazepino(21f)purin3(2H4H6H)yl)acetate
InChI=1SC22H27N5O5c14311610815(91116)25126713261819(2321(25)26)24(3)22(30)27(20(18)29)1417(28)3252h811H471214H213H3
MFCD01551719
ZINC000004042798
ZINC04042798
ZINC4042798
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