Vitas-M small molecule compound
(5Z)-5-{1-[(4-fluorobenzyl)amino]ethylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Catalog ID
STL040976
SMILES OC1=NC(=O)/C(=C(\NCc2ccc(cc2)F)/C)/C(=N1)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 C13H12FN3O3 MW 277.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12FN3O3/c1-7(10-11(18)16-13(20)17-12(10)19)15-6-8-2-4-9(14)5-3-8/h2-5,15H,6H2,1H3,(H2,16,17,18,19,20)InChIKey
SSFDYDNNTPODIM-UHFFFAOYSA-NSynonyms
(5Z)5(1((4fluorobenzyl)amino)ethylidene)26dihydroxypyrimidin4(5H)one
5(1((4FLUOROPHENYL)METHYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(=C1C(=O)NC(=O)NC1=O)NCC2=CC=C(C=C2)F
InChI=1SC13H12FN3O3c17(1011(18)1613(20)1712(10)19)1568249(14)538h2515H6H21H3(H21617181920)
MFCD05727710
OC1=NC(=O)C(=C(NCc2ccc(cc2)F)C)C(=N1)O
ZINC000101078763
ZINC101078763
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