Vitas-M small molecule compound

methyl [6-hydroxy-3-methyl-8-(morpholin-4-yl)-2-oxo-2,3-dihydro-7H-purin-7-yl]acetate

Catalog ID
STL047035
SMILES COC(=O)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCOCC1

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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 C13H17N5O5 MW 323.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N5O5/c1-16-10-9(11(20)15-13(16)21)18(7-8(19)22-2)12(14-10)17-3-5-23-6-4-17/h3-7H2,1-2H3,(H,15,20,21)
InChIKey
GWJSXFITWCDWOZ-UHFFFAOYSA-N
Synonyms
332388-37-1
332388371
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(=O)OC
InChI=1SC13H17N5O5c116109(11(20)1513(16)21)18(78(19)222)12(1410)1735236417h37H212H3(H152021)
methyl(6hydroxy3methyl8(morpholin4yl)2oxo23dihydro7Hpurin7yl)acetate
METHYL2(3METHYL8MORPHOLIN4YL26DIOXOPURIN7YL)ACETATE
METHYL2(3METHYL8MORPHOLINO26DIOXO23DIHYDRO1HPURIN7(6H)YL)ACETATE
MFCD03804033
ZINC000000380543
ZINC00380543
ZINC380543

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.