Vitas-M small molecule compound

7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK555375
SMILES Cn1c(=O)n(C)c(=O)c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCN(CC1)Cc1ccccc1

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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 C27H29N7O3S MW 531.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N7O3S/c1-30-23-22(24(35)31(2)27(30)36)34(16-17-38-26-28-20-10-6-7-11-21(20)37-26)25(29-23)33-14-12-32(13-15-33)18-19-8-4-3-5-9-19/h3-11H,12-18H2,1-2H3
InChIKey
ZEFJUBZIZAUNJP-UHFFFAOYSA-N
Synonyms
501352-47-2
501352472
7(2(13benzoxazol2ylsulfanyl)ethyl)8(4benzylpiperazin1yl)13dimethyl37dihydro1Hpurine26dione
7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)8(4BENZYLPIPERAZIN1YL)13DIMETHYLPURINE26DIONE
7(2(BENZO(D)OXAZOL2YLTHIO)ETHYL)8(4BENZYLPIPERAZIN1YL)13DIMETHYL1HPURINE26(3H7H)DIONE
7(2BENZOXAZOL2YLTHIOETHYL)13DIMETHYL8(4BENZYLPIPERAZINYL)137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCSC5=NC6=CC=CC=C6O5
InChI=1SC27H29N7O3Sc1302322(24(35)31(2)27(30)36)34(16173826282010671121(20)3726)25(2923)33141232(131533)18198435919h311H1218H212H3
MFCD04010814
ZINC000096019763
ZINC96019763

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Available files

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