Vitas-M small molecule compound
8-(azepan-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK594146
SMILES Cc1cccc(c1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCCC1)O
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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 C23H31N5O4 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N5O4/c1-16-9-8-10-18(13-16)32-15-17(29)14-28-19-20(25(2)23(31)26(3)21(19)30)24-22(28)27-11-6-4-5-7-12-27/h8-10,13,17,29H,4-7,11-12,14-15H2,1-3H3InChIKey
LCEGVKWRPKVAFI-UHFFFAOYSA-NSynonyms
849913-19-58(azepan1yl)7(2hydroxy3(3methylphenoxy)propyl)13dimethyl37dihydro1Hpurine26dione
8(AZEPAN1YL)7(2HYDROXY3(3METHYLPHENOXY)PROPYL)13DIMETHYLPURINE26DIONE
8(azepan1yl)7(2hydroxy3(mtolyloxy)propyl)13dimethyl1Hpurine26(3H7H)dione
849913195
CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N4CCCCCC4)N(C(=O)N(C3=O)C)C)O
InChI=1SC23H31N5O4c116981018(1316)321517(29)14281920(25(2)23(31)26(3)21(19)30)2422(28)271164571227h810131729H4711121415H213H3
MFCD05688706
ZINC000006442919
ZINC000049234969
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