Vitas-M small molecule compound
7-benzyl-8-bromo-1-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK834834
SMILES C/C(=C/Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1)c(n2)Br)/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 C17H16BrClN4O2 MW 423.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrClN4O2/c1-11(19)8-9-22-15(24)13-14(21(2)17(22)25)20-16(18)23(13)10-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3/b11-8-InChIKey
HNZMOTXHUWBJGQ-FLIBITNWSA-NSynonyms
1164451-88-0(Z)7benzyl8bromo1(3chlorobut2en1yl)3methyl1Hpurine26(3H7H)dione
1164451880
7benzyl8bromo1((2Z)3chlorobut2en1yl)3methyl37dihydro1Hpurine26dione
7BENZYL8BROMO1((Z)3CHLOROBUT2ENYL)3METHYLPURINE26DIONE
CC(=CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C)Cl
CC(=CCn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1)c(n2)Br)Cl
InChI=1SC17H16BrClN4O2c111(19)892215(24)1314(21(2)17(22)25)2016(18)23(13)10126435712h38H910H212H3b118
MFCD01554430
ZINC000000828762
ZINC00828762
ZINC828762
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