Vitas-M small molecule compound

8-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-6-hydroxy-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one

Catalog ID
STK645508
SMILES COCCn1c(N/N=C/c2ccc(cc2)Br)nc2c1c(O)nc(=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 C16H17BrN6O3 MW 421.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN6O3/c1-22-13-12(14(24)20-16(22)25)23(7-8-26-2)15(19-13)21-18-9-10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,19,21)(H,20,24,25)/b18-9+
InChIKey
MFJFWNUGIXIQID-GIJQJNRQSA-N
Synonyms
372085-37-5
372085375
8((2E)2((4bromophenyl)methylidene)hydrazinyl)7(2methoxyethyl)3methylpurine26dione
8((2E)2(4bromobenzylidene)hydrazinyl)6hydroxy7(2methoxyethyl)3methyl37dihydro2Hpurin2one
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)Br)CCOC
COCCn1c(NN=Cc2ccc(cc2)Br)nc2c1c(O)nc(=O)n2C
InChI=1SC16H17BrN6O3c1221312(14(24)2016(22)25)23(78262)15(1913)21189103511(17)6410h369H78H212H3(H1921)(H202425)b189+
MFCD18163939
ZINC000005297007
ZINC33743059

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Available files

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