Vitas-M small molecule compound
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl benzoate
Catalog ID
STK841610
SMILES OC(Cn1c(OC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1
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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 C22H20N4O6 MW 436.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O6/c1-25-18-17(19(28)24-21(25)30)26(12-15(27)13-31-16-10-6-3-7-11-16)22(23-18)32-20(29)14-8-4-2-5-9-14/h2-11,15,27H,12-13H2,1H3,(H,24,28,30)InChIKey
BTWRODCEWHDSGT-UHFFFAOYSA-NSynonyms
(7(2HYDROXY3PHENOXYPROPYL)3METHYL26DIOXOPURIN8YL)BENZOATE
7(2hydroxy3phenoxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8ylbenzoate
CN1C2=C(C(=O)NC1=O)N(C(=N2)OC(=O)C3=CC=CC=C3)CC(COC4=CC=CC=C4)O
InChI=1SC22H20N4O6c1251817(19(28)2421(25)30)26(1215(27)133116106371116)22(2318)3220(29)148425914h2111527H1213H21H3(H242830)
MFCD00809877
OC(Cn1c(OC(=O)c2ccccc2)nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1
ZINC000000828787
ZINC000003109206
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