Vitas-M small molecule compound

8-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840163
SMILES CCn1c(N/N=C/c2ccc(cc2)Cl)nc2c1c(=O)n(c(=O)n2C)C

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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 C16H17ClN6O2 MW 360.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN6O2/c1-4-23-12-13(21(2)16(25)22(3)14(12)24)19-15(23)20-18-9-10-5-7-11(17)8-6-10/h5-9H,4H2,1-3H3,(H,19,20)/b18-9+
InChIKey
UGXNMSYQQGCPMY-GIJQJNRQSA-N
Synonyms
374908-38-0
(E)8(2(4chlorobenzylidene)hydrazinyl)7ethyl13dimethyl1Hpurine26(3H7H)dione
374908380
8(((1E)2(4CHLOROPHENYL)1AZAVINYL)AMINO)7ETHYL13DIMETHYL137TRIHYDROPURINE26DIONE
8((2E)2((4chlorophenyl)methylidene)hydrazinyl)7ethyl13dimethylpurine26dione
8((2E)2(4chlorobenzylidene)hydrazinyl)7ethyl13dimethyl37dihydro1Hpurine26dione
CCn1c(NN=Cc2ccc(cc2)Cl)nc2c1c(=O)n(c(=O)n2C)C
CCN1C2=C(N=C1NN=CC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C
InChI=1SC16H17ClN6O2c14231213(21(2)16(25)22(3)14(12)24)1915(23)20189105711(17)8610h59H4H213H3(H1920)b189+
MFCD02234348
ZINC000003893127
ZINC33771540

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Available files

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