Vitas-M small molecule compound
ethyl 4-{[7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Catalog ID
STK849476
SMILES CCOC(=O)N1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)F)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 C22H27FN6O4 MW 458.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27FN6O4/c1-4-33-22(32)28-11-9-27(10-12-28)14-17-24-19-18(20(30)26(3)21(31)25(19)2)29(17)13-15-5-7-16(23)8-6-15/h5-8H,4,9-14H2,1-3H3InChIKey
OXCMSADYSGMAJI-UHFFFAOYSA-NSynonyms
851937-98-9851937989
CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C
ETHYL4((7((4FLUOROPHENYL)METHYL)13DIMETHYL26DIOXO137TRIHYDROPURIN8YL)METHYL)PIPERAZINECARBOXYLATE
ETHYL4((7((4FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)METHYL)PIPERAZINE1CARBOXYLATE
ethyl4((7(4fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)methyl)piperazine1carboxylate
InChI=1SC22H27FN6O4c143322(32)2811927(101228)1417241918(20(30)26(3)21(31)25(19)2)29(17)13155716(23)8615h58H4914H213H3
MFCD04466301
ZINC000020533496
ZINC20533496
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