Vitas-M small molecule compound

7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one

Catalog ID
STK595109
SMILES Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c([nH]1)cccc2)N1CCN(CC1)Cc1ccccc1)O

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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 C26H28N8O2S MW 516.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N8O2S/c1-31-22-21(23(35)30-26(31)36)34(15-16-37-24-27-19-9-5-6-10-20(19)28-24)25(29-22)33-13-11-32(12-14-33)17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,27,28)(H,30,35,36)
InChIKey
AJPGHZCUNUOXIE-UHFFFAOYSA-N
Synonyms
476482-41-4
476482414
7(2((1HBENZO(D)IMIDAZOL2YL)THIO)ETHYL)8(4BENZYLPIPERAZIN1YL)3METHYL1HPURINE26(3H7H)DIONE
7(2(1HBENZIMIDAZOL2YLSULFANYL)ETHYL)8(4BENZYLPIPERAZIN1YL)3METHYLPURINE26DIONE
7(2(1Hbenzimidazol2ylsulfanyl)ethyl)8(4benzylpiperazin1yl)6hydroxy3methyl37dihydro2Hpurin2one
Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c((nH)1)cccc2)N1CCN(CC1)Cc1ccccc1)O
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCSC5=NC6=CC=CC=C6N5
InChI=1SC26H28N8O2Sc1312221(23(35)3026(31)36)34(1516372427199561020(19)2824)25(2922)33131132(121433)17187324818h210H1117H21H3(H2728)(H303536)
MFCD07198817
ZINC000053517371
ZINC53517371

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Available files

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