Vitas-M small molecule compound
8-(benzylamino)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK527796
SMILES C/C=C/Cn1c(NCc2ccccc2)nc2c1c(=O)[nH]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 C17H19N5O2 MW 325.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O2/c1-3-4-10-22-13-14(21(2)17(24)20-15(13)23)19-16(22)18-11-12-8-6-5-7-9-12/h3-9H,10-11H2,1-2H3,(H,18,19)(H,20,23,24)/b4-3+InChIKey
LJZGFVBYBFIVQT-ONEGZZNKSA-NSynonyms
305864-89-5(E)8(benzylamino)7(but2en1yl)3methyl1Hpurine26(3H7H)dione
305864895
7((2E)BUT2ENYL)3METHYL8(BENZYLAMINO)137TRIHYDROPURINE26DIONE
8(benzylamino)7((2E)but2en1yl)3methyl37dihydro1Hpurine26dione
8(BENZYLAMINO)7((E)BUT2ENYL)3METHYLPURINE26DIONE
8BENZYLAMINO7BUT2ENYL3METHYL37DIHYDROPURINE26DIONE
CC=CCn1c(NCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC17H19N5O2c13410221314(21(2)17(24)2015(13)23)1916(22)1811128657912h39H1011H212H3(H1819)(H202324)b43+
MFCD01553829
ZINC000012647566
ZINC12647566
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