Vitas-M small molecule compound
ethyl 4-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Catalog ID
STK850392
SMILES CCOC(=O)N1CCN(CC1)Cc1nc2c(n1Cc1cccc(c1)Cl)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 C22H27ClN6O4 MW 474.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN6O4/c1-4-33-22(32)28-10-8-27(9-11-28)14-17-24-19-18(20(30)26(3)21(31)25(19)2)29(17)13-15-6-5-7-16(23)12-15/h5-7,12H,4,8-11,13-14H2,1-3H3InChIKey
VKWXIDKXGZEVDH-UHFFFAOYSA-NSynonyms
851940-07-3851940073
CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)N(C(=O)N3C)C
ETHYL4((7((3CHLOROPHENYL)METHYL)13DIMETHYL26DIOXO137TRIHYDROPURIN8YL)METHYL)PIPERAZINECARBOXYLATE
ETHYL4((7((3CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)METHYL)PIPERAZINE1CARBOXYLATE
ethyl4((7(3chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)methyl)piperazine1carboxylate
InChI=1SC22H27ClN6O4c143322(32)2810827(91128)1417241918(20(30)26(3)21(31)25(19)2)29(17)131565716(23)1215h5712H48111314H213H3
MFCD04466481
ZINC000020503638
ZINC20503638
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