Vitas-M small molecule compound
8-(azepan-1-yl)-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK838970
SMILES Cc1cccc(c1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCCC1
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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 C21H27N5O2 MW 381.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2/c1-15-9-8-10-16(13-15)14-26-17-18(23(2)21(28)24(3)19(17)27)22-20(26)25-11-6-4-5-7-12-25/h8-10,13H,4-7,11-12,14H2,1-3H3InChIKey
COKDIFFOVXIHCG-UHFFFAOYSA-NSynonyms
377060-11-2377060112
8(AZEPAN1YL)13DIMETHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
8(AZEPAN1YL)13DIMETHYL7(3METHYLBENZYL)1HPURINE26(3H7H)DIONE
8(azepan1yl)13dimethyl7(3methylbenzyl)37dihydro1Hpurine26dione
8AZAPERHYDROEPINYL13DIMETHYL7((3METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
8AZEPAN1YL13DIMETHYL7(3METHYLBENZYL)37DIHYDROPURINE26DIONE
CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCCCCC4)N(C(=O)N(C3=O)C)C
InChI=1SC21H27N5O2c115981016(1315)14261718(23(2)21(28)24(3)19(17)27)2220(26)251164571225h81013H47111214H213H3
MFCD02983129
ZINC000000629035
ZINC00629035
ZINC629035
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