Vitas-M small molecule compound

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

Catalog ID
STK088943
SMILES O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(c(c1)Cl)F

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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 C15H13ClFN5O3 MW 365.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13ClFN5O3/c1-20-13-12(14(24)21(2)15(20)25)22(7-18-13)6-11(23)19-8-3-4-10(17)9(16)5-8/h3-5,7H,6H2,1-2H3,(H,19,23)
InChIKey
RWSDOJHJGTYANF-UHFFFAOYSA-N
Synonyms
332117-62-1
2(13DIMETHYL26DIOXO(137TRIHYDROPURIN7YL))N(3CHLORO4FLUOROPHENYL)ACETAMIDE
332117621
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC(=C(C=C3)F)Cl
InChI=1SC15H13ClFN5O3c1201312(14(24)21(2)15(20)25)22(71813)611(23)1983410(17)9(16)58h357H6H212H3(H1923)
MFCD01993484
N(3chloro4fluorophenyl)2(13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetamide
N(3chloro4fluorophenyl)2(13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)acetamide
N(3CHLORO4FLUOROPHENYL)2(13DIMETHYL26DIOXOPURIN7YL)ACETAMIDE
O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(c(c1)Cl)F
STK088943
ZINC000000851799
ZINC00851799
ZINC851799

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Available files

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