Vitas-M small molecule compound

2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-fluorobenzyl)acetamide

Catalog ID
STK743943
SMILES Fc1ccc(cc1)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

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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 C16H16FN5O3 MW 345.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16FN5O3/c1-20-14-13(15(24)21(2)16(20)25)22(9-19-14)8-12(23)18-7-10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,18,23)
InChIKey
FPLRSVHTGNSDFB-UHFFFAOYSA-N
Synonyms
728882-25-5
2(13dimethyl26dioxo1236tetrahydro7Hpurin7yl)N(4fluorobenzyl)acetamide
2(13DIMETHYL26DIOXOPURIN7YL)N((4FLUOROPHENYL)METHYL)ACETAMIDE
728882255
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3=CC=C(C=C3)F
InChI=1SC16H16FN5O3c1201413(15(24)21(2)16(20)25)22(91914)812(23)187103511(17)6410h369H78H212H3(H1823)
MFCD05357481
ZINC000004625678
ZINC04625678
ZINC4625678

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Available files

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