Vitas-M small molecule compound
7-[(2Z)-3-chlorobut-2-en-1-yl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK579607
SMILES CCN1CCN(CC1)c1nc2c(n1C/C=C(\Cl)/C)c(=O)n(c(=O)n2C)C
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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 C17H25ClN6O2 MW 380.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25ClN6O2/c1-5-22-8-10-23(11-9-22)16-19-14-13(24(16)7-6-12(2)18)15(25)21(4)17(26)20(14)3/h6H,5,7-11H2,1-4H3/b12-6-InChIKey
MMQIWFUUNQFBBI-SDQBBNPISA-NSynonyms
850721-96-9(Z)7(3chlorobut2en1yl)8(4ethylpiperazin1yl)13dimethyl1Hpurine26(3H7H)dione
7((2Z)3chlorobut2en1yl)8(4ethylpiperazin1yl)13dimethyl37dihydro1Hpurine26dione
7((Z)3CHLOROBUT2ENYL)8(4ETHYLPIPERAZIN1YL)13DIMETHYLPURINE26DIONE
850721969
CCN1CCN(CC1)c1nc2c(n1CC=C(Cl)C)c(=O)n(c(=O)n2C)C
CCN1CCN(CC1)C2=NC3=C(N2CC=C(C)Cl)C(=O)N(C(=O)N3C)C
InChI=1SC17H25ClN6O2c152281023(11922)16191413(24(16)7612(2)18)15(25)21(4)17(26)20(14)3h6H5711H214H3b126
MFCD05692659
ZINC000002395366
ZINC2395366
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