Vitas-M small molecule compound
8-(azepan-1-yl)-1,3-dimethyl-7-(1-oxo-1-phenylbutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL349349
SMILES CCC(n1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCCC1)C(=O)c1ccccc1
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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 C23H29N5O3 MW 423.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O3/c1-4-17(19(29)16-12-8-7-9-13-16)28-18-20(25(2)23(31)26(3)21(18)30)24-22(28)27-14-10-5-6-11-15-27/h7-9,12-13,17H,4-6,10-11,14-15H2,1-3H3InChIKey
USGDCWQALDMTQV-UHFFFAOYSA-NSynonyms
877803-74-28(azepan1yl)13dimethyl7(1oxo1phenylbutan2yl)1Hpurine26(3H7H)dione
8(azepan1yl)13dimethyl7(1oxo1phenylbutan2yl)37dihydro1Hpurine26dione
8(AZEPAN1YL)13DIMETHYL7(1OXO1PHENYLBUTAN2YL)PURINE26DIONE
877803742
CCC(C(=O)C1=CC=CC=C1)N2C3=C(N=C2N4CCCCCC4)N(C(=O)N(C3=O)C)C
InChI=1SC23H29N5O3c1417(19(29)16128791316)281820(25(2)23(31)26(3)21(18)30)2422(28)27141056111527h79121317H4610111415H213H3
MFCD05704571
ZINC000005461537
ZINC000005461539
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