Vitas-M small molecule compound

8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK851773
SMILES O=C(c1ccco1)N1CCN(CC1)Cc1nc2c(n1CCCc1ccccc1)c(=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 C26H30N6O4 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O4/c1-28-23-22(25(34)29(2)26(28)35)32(12-6-10-19-8-4-3-5-9-19)21(27-23)18-30-13-15-31(16-14-30)24(33)20-11-7-17-36-20/h3-5,7-9,11,17H,6,10,12-16,18H2,1-2H3
InChIKey
BWGQKEDDQMXMKG-UHFFFAOYSA-N
Synonyms
851943-22-1
8((4(2FURANYL(OXO)METHYL)1PIPERAZINYL)METHYL)13DIMETHYL7(3PHENYLPROPYL)PURINE26DIONE
8((4(2FUROYL)PIPERAZINO)METHYL)13DIMETHYL7(3PHENYLPROPYL)XANTHINE
8((4(2FURYLCARBONYL)PIPERAZINYL)METHYL)13DIMETHYL7(3PHENYLPROPYL)137TRIHYDROPURINE26DIONE
8((4(FURAN2CARBONYL)PIPERAZIN1YL)METHYL)13DIMETHYL7(3PHENYLPROPYL)1HPURINE26(3H7H)DIONE
8((4(FURAN2CARBONYL)PIPERAZIN1YL)METHYL)13DIMETHYL7(3PHENYLPROPYL)PURINE26DIONE
8((4(furan2ylcarbonyl)piperazin1yl)methyl)13dimethyl7(3phenylpropyl)37dihydro1Hpurine26dione
8((4(FURAN2YLCARBONYL)PIPERAZIN1YL)METHYL)13DIMETHYL7(3PHENYLPROPYL)PURINE26DIONE
851943221
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(=O)C4=CC=CO4)CCCC5=CC=CC=C5
InChI=1SC26H30N6O4c1282322(25(34)29(2)26(28)35)32(12610198435919)21(2723)1830131531(161430)24(33)20117173620h35791117H610121618H212H3
MFCD04466742
ZINC000020533477
ZINC20533477

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Available files

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