Vitas-M small molecule compound

8-[(2E)-2-(butan-2-ylidene)hydrazinyl]-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK006136
SMILES CC/C(=N/Nc1nc2c(n1Cc1ccc(cc1)C)c(=O)[nH]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 C18H22N6O2 MW 354.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N6O2/c1-5-12(3)21-22-17-19-15-14(16(25)20-18(26)23(15)4)24(17)10-13-8-6-11(2)7-9-13/h6-9H,5,10H2,1-4H3,(H,19,22)(H,20,25,26)/b21-12+
InChIKey
MOCAUUULGNHNLG-CIAFOILYSA-N
Synonyms

(E)8(2(butan2ylidene)hydrazinyl)3methyl7(4methylbenzyl)1Hpurine26(3H7H)dione
8((2E)2(BUTAN2YLIDENE)HYDRAZINYL)3METHYL7(4METHYLBENZYL)37DIHYDRO1HPURINE26DIONE
8((2E)2BUTAN2YLIDENEHYDRAZINYL)3METHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
CCC(=NNC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C)C
CCC(=NNc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C)C
InChI=1SC18H22N6O2c1512(3)212217191514(16(25)2018(26)23(15)4)24(17)10138611(2)7913h69H510H214H3(H1922)(H202526)b2112+
MFCD02234313
STK006136
ZINC000012436662
ZINC04550416
ZINC4550416

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Available files

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