Vitas-M small molecule compound

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

Catalog ID
STK050200
SMILES N#Cc1ccc(cc1)NC(=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 C16H14N6O3 MW 338.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N6O3/c1-20-14-13(15(24)21(2)16(20)25)22(9-18-14)8-12(23)19-11-5-3-10(7-17)4-6-11/h3-6,9H,8H2,1-2H3,(H,19,23)
InChIKey
ZEFGFGHXXWXLBZ-UHFFFAOYSA-N
Synonyms
369395-41-5
2(13DIMETHYL26DIOXO(137TRIHYDROPURIN7YL))N(4CYANOPHENYL)ACETAMIDE
369395415
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=C(C=C3)C#N
InChI=1SC16H14N6O3c1201413(15(24)21(2)16(20)25)22(91814)812(23)19115310(717)4611h369H8H212H3(H1923)
MFCD02226057
N#Cc1ccc(cc1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
N(4cyanophenyl)2(13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetamide
N(4cyanophenyl)2(13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)acetamide
N(4CYANOPHENYL)2(13DIMETHYL26DIOXOPURIN7YL)ACETAMIDE
STK050200
ZINC000000183870
ZINC00183870
ZINC183870

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Available files

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