Vitas-M small molecule compound

8-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dimethyl-7-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione

Catalog ID
STK768507
SMILES CCOc1cc(ccc1OCC)CCn1c2nc3c(n2cc1C12CC4CC(C2)CC(C1)C4)c(=O)n(c(=O)n3C)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 C31H39N5O4 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O4/c1-5-39-23-8-7-19(14-24(23)40-6-2)9-10-35-25(31-15-20-11-21(16-31)13-22(12-20)17-31)18-36-26-27(32-29(35)36)33(3)30(38)34(4)28(26)37/h7-8,14,18,20-22H,5-6,9-13,15-17H2,1-4H3
InChIKey
YOZDAHIPRRIQRA-UHFFFAOYSA-N
Synonyms
384375-65-9
384375659
7((3r5r7r)adamantan1yl)8(34diethoxyphenethyl)13dimethyl1Himidazo(21f)purine24(3H8H)dione
7(1ADAMANTYL)6(2(34DIETHOXYPHENYL)ETHYL)24DIMETHYLPURINO(78A)IMIDAZOLE13DIONE
7ADAMANTANYL8(2(34DIETHOXYPHENYL)ETHYL)13DIMETHYL135TRIHYDRO4IMIDAZOLINO(12H)PURINE24DIONE
8(2(34diethoxyphenyl)ethyl)13dimethyl7(tricyclo(3311~37~)dec1yl)1Himidazo(21f)purine24(3H8H)dione
CCOC1=C(C=C(C=C1)CCN2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C56CC7CC(C5)CC(C7)C6)OCC
InChI=1SC31H39N5O4c1539238719(1424(23)4062)9103525(3115201121(1631)1322(1220)1731)18362627(3229(35)36)33(3)30(38)34(4)28(26)37h7814182022H569131517H214H3
MFCD03285019
ZINC000097951399
ZINC97951399

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.