Vitas-M small molecule compound
8-[(2-aminoethyl)amino]-1-(4-bromobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL235964
SMILES NCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)Br
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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 C16H19BrN6O2 MW 407.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19BrN6O2/c1-21-12-13(20-15(21)19-8-7-18)22(2)16(25)23(14(12)24)9-10-3-5-11(17)6-4-10/h3-6H,7-9,18H2,1-2H3,(H,19,20)InChIKey
CYGZJYZECNWBLQ-UHFFFAOYSA-NSynonyms
843626-99-38((2aminoethyl)amino)1(4bromobenzyl)37dimethyl1Hpurine26(3H7H)dione
8((2aminoethyl)amino)1(4bromobenzyl)37dimethyl37dihydro1Hpurine26dione
8(2AMINOETHYLAMINO)1((4BROMOPHENYL)METHYL)37DIMETHYLPURINE26DIONE
843626993
CN1C2=C(N=C1NCCN)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Br)C
InChI=1SC16H19BrN6O2c1211213(2015(21)198718)22(2)16(25)23(14(12)24)9103511(17)6410h36H7918H212H3(H1920)
MFCD04015698
ZINC000013513028
ZINC13513028
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