Vitas-M small molecule compound
8-(cyclohexylamino)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK540628
SMILES Cc1ccc(cc1)Cn1c(NC2CCCCC2)nc2c1c(=O)n(C)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 C21H27N5O2 MW 381.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2/c1-14-9-11-15(12-10-14)13-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)22-16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H,22,23)InChIKey
NPFQZOPECSQWCZ-UHFFFAOYSA-NSynonyms
8(CYCLOHEXYLAMINO)13DIMETHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
8(cyclohexylamino)13dimethyl7(4methylbenzyl)1Hpurine26(3H7H)dione
8(cyclohexylamino)13dimethyl7(4methylbenzyl)37dihydro1Hpurine26dione
CC1=CC=C(C=C1)CN2C3=C(N=C2NC4CCCCC4)N(C(=O)N(C3=O)C)C
InChI=1SC21H27N5O2c11491115(121014)13261718(24(2)21(28)25(3)19(17)27)2320(26)22167546816h91216H4813H213H3(H2223)
MFCD02238421
ZINC000012436987
ZINC12436987
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