Vitas-M small molecule compound

6-hydroxy-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STL038464
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2c(n1CCCc1ccccc1)c(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 C26H30N6O3 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O3/c1-29-23-22(24(33)28-26(29)34)32(14-6-9-19-7-4-3-5-8-19)25(27-23)31-17-15-30(16-18-31)20-10-12-21(35-2)13-11-20/h3-5,7-8,10-13H,6,9,14-18H2,1-2H3,(H,28,33,34)
InChIKey
SPNRZDJHPPYEDJ-UHFFFAOYSA-N
Synonyms
442864-45-1
442864451
6hydroxy8(4(4methoxyphenyl)piperazin1yl)3methyl7(3phenylpropyl)37dihydro2Hpurin2one
8(4(4METHOXYPHENYL)PIPERAZIN1YL)3METHYL7(3PHENYLPROPYL)1HPURINE26(3H7H)DIONE
8(4(4METHOXYPHENYL)PIPERAZIN1YL)3METHYL7(3PHENYLPROPYL)PURINE26DIONE
8(4(4METHOXYPHENYL)PIPERAZINYL)3METHYL7(3PHENYLPROPYL)137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCCC5=CC=CC=C5
InChI=1SC26H30N6O3c1292322(24(33)2826(29)34)32(1469197435819)25(2723)31171530(161831)20101221(352)131120h35781013H691418H212H3(H283334)
MFCD03801734
ZINC000000631592
ZINC00631592
ZINC631592

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Available files

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