Vitas-M small molecule compound
7-[(2E)-3-chlorobut-2-en-1-yl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL006310
SMILES OCCN1CCN(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 C17H25ClN6O3 MW 396.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25ClN6O3/c1-12(18)4-5-24-13-14(20(2)17(27)21(3)15(13)26)19-16(24)23-8-6-22(7-9-23)10-11-25/h4,25H,5-11H2,1-3H3/b12-4+InChIKey
BMBGLPDZQVNYFX-UUILKARUSA-NSynonyms
(E)7(3chlorobut2en1yl)8(4(2hydroxyethyl)piperazin1yl)13dimethyl1Hpurine26(3H7H)dione
7((2E)3chlorobut2en1yl)8(4(2hydroxyethyl)piperazin1yl)13dimethyl37dihydro1Hpurine26dione
7((E)3CHLOROBUT2ENYL)8(4(2HYDROXYETHYL)PIPERAZIN1YL)13DIMETHYLPURINE26DIONE
CC(=CCN1C2=C(N=C1N3CCN(CC3)CCO)N(C(=O)N(C2=O)C)C)Cl
InChI=1SC17H25ClN6O3c112(18)45241314(20(2)17(27)21(3)15(13)26)1916(24)238622(7923)101125h425H511H213H3b124+
MFCD04178565
OCCN1CCN(CC1)c1nc2c(n1CC=C(Cl)C)c(=O)n(c(=O)n2C)C
ZINC000019999772
ZINC19999772
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