Vitas-M small molecule compound
7-{2-[(2E)-azepan-2-ylideneamino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK678236
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CC/N=C/1\CCCCCN1)cn2
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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 C15H22N6O2 MW 318.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H22N6O2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)9-8-17-11-6-4-3-5-7-16-11/h10H,3-9H2,1-2H3,(H,16,17)InChIKey
QDNUXYCWZSDOGV-UHFFFAOYSA-NSynonyms
13dimethyl7(2(3456tetrahydro2Hazepin7ylamino)ethyl)purine26dione
7(2((2E)azepan2ylideneamino)ethyl)13dimethyl37dihydro1Hpurine26dione
7(2(2AZEPANYLIDENEAMINO)ETHYL)13DIMETHYL37DIHYDRO1HPURINE26DIONEHYDROCHLORIDE
Cn1c(=O)n(C)c2c(c1=O)n(CCN=C1CCCCCN1)cn2
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=NCCCCC3
InChI=1SC15H22N6O2c1191312(14(22)20(2)15(19)23)21(101813)981711643571611h10H39H212H3(H1617)
MFCD03034269
ZINC000005687311
ZINC5687311
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