Vitas-M small molecule compound

8-(benzylamino)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK538736
SMILES CCCCCCCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

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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 C21H29N5O2 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O2/c1-3-4-5-6-7-11-14-26-17-18(25(2)21(28)24-19(17)27)23-20(26)22-15-16-12-9-8-10-13-16/h8-10,12-13H,3-7,11,14-15H2,1-2H3,(H,22,23)(H,24,27,28)
InChIKey
HXSPJMGYWFYDMG-UHFFFAOYSA-N
Synonyms
301354-11-0
301354110
3METHYL7OCTYL8(BENZYLAMINO)137TRIHYDROPURINE26DIONE
8(benzylamino)3methyl7octyl1Hpurine26(3H7H)dione
8(benzylamino)3methyl7octyl37dihydro1Hpurine26dione
8(BENZYLAMINO)3METHYL7OCTYLPURINE26DIONE
8BENZYLAMINO3METHYL7OCTYL37DIHYDROPURINE26DIONE
CCCCCCCCn1c(NCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC21H29N5O2c1345671114261718(25(2)21(28)2419(17)27)2320(26)2215161298101316h8101213H37111415H212H3(H2223)(H242728)
MFCD00612609
ZINC000002274630
ZINC2274630

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Available files

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