Vitas-M small molecule compound

1-(3-bromobenzyl)-8-(hexylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL342084
SMILES CCCCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1cccc(c1)Br

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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 C20H26BrN5O2 MW 448.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26BrN5O2/c1-4-5-6-7-11-22-19-23-17-16(24(19)2)18(27)26(20(28)25(17)3)13-14-9-8-10-15(21)12-14/h8-10,12H,4-7,11,13H2,1-3H3,(H,22,23)
InChIKey
HGVGQUPWSUCYRQ-UHFFFAOYSA-N
Synonyms
579439-71-7
1((3BROMOPHENYL)METHYL)8(HEXYLAMINO)37DIMETHYLPURINE26DIONE
1(3bromobenzyl)8(hexylamino)37dimethyl1Hpurine26(3H7H)dione
1(3bromobenzyl)8(hexylamino)37dimethyl37dihydro1Hpurine26dione
579439717
CCCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)Br
InChI=1SC20H26BrN5O2c14567112219231716(24(19)2)18(27)26(20(28)25(17)3)1314981015(21)1214h81012H471113H213H3(H2223)
MFCD04032438
ZINC000008625312
ZINC08625312
ZINC8625312

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Available files

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