Vitas-M small molecule compound

8-{[2-(1H-indol-3-yl)ethyl]amino}-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK262547
SMILES Cc1ccc(cc1)Cn1c(NCCc2c[nH]c3c2cccc3)nc2c1c(=O)n(c(=O)n2C)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 C25H26N6O2 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N6O2/c1-16-8-10-17(11-9-16)15-31-21-22(29(2)25(33)30(3)23(21)32)28-24(31)26-13-12-18-14-27-20-7-5-4-6-19(18)20/h4-11,14,27H,12-13,15H2,1-3H3,(H,26,28)
InChIKey
RNBSYOSVBOWLQC-UHFFFAOYSA-N
Synonyms

7(4METHYLBENZYL)8((2(1HINDOL3YL)ETHYL)AMINO)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8((2(1Hindol3yl)ethyl)amino)13dimethyl7(4methylbenzyl)37dihydro1Hpurine26dione
8((2INDOL3YLETHYL)AMINO)13DIMETHYL7((4METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
8(2(1HINDOL3YL)ETHYLAMINO)13DIMETHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2NCCC4=CNC5=CC=CC=C54)N(C(=O)N(C3=O)C)C
Cc1ccc(cc1)Cn1c(NCCc2c(nH)c3c2cccc3)nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC25H26N6O2c11681017(11916)15312122(29(2)25(33)30(3)23(21)32)2824(31)26131218142720754619(18)20h4111427H121315H213H3(H2628)
MFCD07621011
ZINC000008774918
ZINC08774918
ZINC8774918

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Available files

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