Vitas-M small molecule compound
7-[(2Z)-3-chlorobut-2-en-1-yl]-6-hydroxy-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STL049974
SMILES C/C(=C/Cn1c(NCCCn2cncc2)nc2c1c(O)nc(=O)n2C)/Cl
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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 C16H20ClN7O2 MW 377.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20ClN7O2/c1-11(17)4-8-24-12-13(22(2)16(26)21-14(12)25)20-15(24)19-5-3-7-23-9-6-18-10-23/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,19,20)(H,21,25,26)/b11-4-InChIKey
CPZBROSJUDOHOD-WCIBSUBMSA-NSynonyms
1164540-26-41164540264
7((2Z)3chlorobut2en1yl)6hydroxy8((3(1Himidazol1yl)propyl)amino)3methyl37dihydro2Hpurin2one
7((Z)3CHLOROBUT2ENYL)8(3IMIDAZOL1YLPROPYLAMINO)3METHYL37DIHYDROPURINE26DIONE
7((Z)3CHLOROBUT2ENYL)8(3IMIDAZOL1YLPROPYLAMINO)3METHYLPURINE26DIONE
CC(=CCn1c(NCCCn2cncc2)nc2c1c(O)nc(=O)n2C)Cl
InChI=1SC16H20ClN7O2c111(17)48241213(22(2)16(26)2114(12)25)2015(24)195372396181023h46910H3578H212H3(H1920)(H212526)b114
MFCD05736161
ZINC000012378394
ZINC12378394
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