Vitas-M small molecule compound
8-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK536592
SMILES C=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 C17H17ClN6O2 MW 372.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN6O2/c1-4-9-24-13-14(22(2)17(26)23(3)15(13)25)20-16(24)21-19-10-11-5-7-12(18)8-6-11/h4-8,10H,1,9H2,2-3H3,(H,20,21)/b19-10+InChIKey
FIQIHHQWFNJXDT-VXLYETTFSA-NSynonyms
(E)7allyl8(2(4chlorobenzylidene)hydrazinyl)13dimethyl1Hpurine26(3H7H)dione
8((2E)2((4chlorophenyl)methylidene)hydrazinyl)13dimethyl7prop2enylpurine26dione
8((2E)2(4chlorobenzylidene)hydrazinyl)13dimethyl7(prop2en1yl)37dihydro1Hpurine26dione
C=CCn1c(NN=Cc2ccc(cc2)Cl)nc2c1c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)Cl)CC=C
InChI=1SC17H17ClN6O2c149241314(22(2)17(26)23(3)15(13)25)2016(24)211910115712(18)8611h4810H19H223H3(H2021)b1910+
MFCD02982741
ZINC000004812690
ZINC62825034
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