Vitas-M small molecule compound
tert-butyl 4-{4-amino-5-[(2-fluorobenzyl)carbamoyl]pyrimidin-2-yl}piperazine-1-carboxylate
Catalog ID
STL167672
SMILES O=C(N1CCN(CC1)c1ncc(c(n1)N)C(=O)NCc1ccccc1F)OC(C)(C)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 C21H27FN6O3 MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27FN6O3/c1-21(2,3)31-20(30)28-10-8-27(9-11-28)19-25-13-15(17(23)26-19)18(29)24-12-14-6-4-5-7-16(14)22/h4-7,13H,8-12H2,1-3H3,(H,24,29)(H2,23,25,26)InChIKey
OPOBXMQEXAOWBW-UHFFFAOYSA-NSynonyms
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C(=N2)N)C(=O)NCC3=CC=CC=C3F
InChI=1SC21H27FN6O3c121(23)3120(30)2810827(91128)19251315(17(23)2619)18(29)241214645716(14)22h4713H812H213H3(H2429)(H2232526)
MFCD20752206
tertbutyl4(4amino5((2fluorobenzyl)carbamoyl)pyrimidin2yl)piperazine1carboxylate
tertbutyl4(4amino5((2fluorophenyl)methylcarbamoyl)pyrimidin2yl)piperazine1carboxylate
ZINC000071772292
ZINC71772292
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