Vitas-M small molecule compound
1-(3-chlorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK053986
SMILES OCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1cccc(c1)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 C16H18ClN5O3 MW 363.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN5O3/c1-20-12-13(19-15(20)18-6-7-23)21(2)16(25)22(14(12)24)9-10-4-3-5-11(17)8-10/h3-5,8,23H,6-7,9H2,1-2H3,(H,18,19)InChIKey
ZKZRUMBSXQWPTF-UHFFFAOYSA-NSynonyms
1((3CHLOROPHENYL)METHYL)8(2HYDROXYETHYLAMINO)37DIMETHYLPURINE26DIONE
1(3CHLOROBENZYL)8((2HYDROXYETHYL)AMINO)37DIMETHYL37DIHYDRO1HPURINE26DIONE
CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=CC(=CC=C3)Cl)C
InChI=1SC16H18ClN5O3c1201213(1915(20)186723)21(2)16(25)22(14(12)24)91043511(17)810h35823H679H212H3(H1819)
MFCD02070733
OCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1cccc(c1)Cl
STK053986
ZINC000004116022
ZINC04116022
ZINC4116022
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