Vitas-M small molecule compound
(5Z)-3-butyl-5-{1-[(4-fluorobenzyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL055507
SMILES CCCCN1C(=O)N=C(/C(=C(/NCc2ccc(cc2)F)\CC)/C1=O)O
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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 C18H22FN3O3 MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22FN3O3/c1-3-5-10-22-17(24)15(16(23)21-18(22)25)14(4-2)20-11-12-6-8-13(19)9-7-12/h6-9,20H,3-5,10-11H2,1-2H3,(H,21,23,25)/b15-14-InChIKey
NSNIWPXDAPEIHL-PFONDFGASA-NSynonyms
(5Z)1butyl5(1((4fluorophenyl)methylamino)propylidene)13diazinane246trione
(5Z)3butyl5(1((4fluorobenzyl)amino)propylidene)6hydroxypyrimidine24(3H5H)dione
CCCCN1C(=O)C(=C(CC)NCC2=CC=C(C=C2)F)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=C(NCc2ccc(cc2)F)CC)C1=O)O
InChI=1SC18H22FN3O3c135102217(24)15(16(23)2118(22)25)14(42)2011126813(19)9712h6920H351011H212H3(H212325)b1514
MFCD05728227
ZINC000005978654
ZINC5978654
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