Vitas-M small molecule compound
7-{3-[(2E)-azepan-2-ylideneamino]propyl}-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK677817
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCC/N=C/1\CCCCCN1)c(n2)N1CCCCC1
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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 C21H33N7O2 MW 415.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33N7O2/c1-25-18-17(19(29)26(2)21(25)30)28(20(24-18)27-13-7-4-8-14-27)15-9-12-23-16-10-5-3-6-11-22-16/h3-15H2,1-2H3,(H,22,23)InChIKey
FLDYSOWEOUEJAI-UHFFFAOYSA-NSynonyms
13dimethyl8piperidin1yl7(3(3456tetrahydro2Hazepin7ylamino)propyl)purine26dione
7(3((2E)azepan2ylideneamino)propyl)13dimethyl8(piperidin1yl)37dihydro1Hpurine26dione
7(4AZAPERHYDROEPIN2YLIDENE4AZABUTYL)13DIMETHYL8PIPERIDYL137TRIHYDROPURINE26DIONE
Cn1c(=O)n(C)c2c(c1=O)n(CCCN=C1CCCCCN1)c(n2)N1CCCCC1
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCCNC4=NCCCCC4
InChI=1SC21H33N7O2c1251817(19(29)26(2)21(25)30)28(20(2418)27137481427)15912231610536112216h315H212H3(H2223)
MFCD03035949
ZINC000002867382
ZINC2867382
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