Vitas-M small molecule compound

8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK539034
SMILES C=CCn1c(nc2c1c(=O)n(c(=O)n2C)C)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 C21H26N6O2 MW 394.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N6O2/c1-4-10-27-17-18(23(2)21(29)24(3)19(17)28)22-20(27)26-13-11-25(12-14-26)15-16-8-6-5-7-9-16/h4-9H,1,10-15H2,2-3H3
InChIKey
XCUDTLCSHQGWAI-UHFFFAOYSA-N
Synonyms
378211-90-6
13DIMETHYL8(4BENZYLPIPERAZINYL)7PROP2ENYL137TRIHYDROPURINE26DIONE
378211906
7ALLYL8(4BENZYLPIPERAZIN1YL)13DIMETHYL1HPURINE26(3H7H)DIONE
8(4benzylpiperazin1yl)13dimethyl7(prop2en1yl)37dihydro1Hpurine26dione
8(4BENZYLPIPERAZIN1YL)13DIMETHYL7PROP2ENYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC=C
InChI=1SC21H26N6O2c1410271718(23(2)21(29)24(3)19(17)28)2220(27)26131125(121426)15168657916h49H11015H223H3
MFCD02736207
ZINC000055556972
ZINC55556972

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Available files

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