Vitas-M small molecule compound
3-butyl-5-(4-fluorobenzyl)-6-hydroxy-2-oxo-2,3-dihydropyrimidin-4-olate
Catalog ID
STL058549
SMILES CCCCn1c(=O)nc(c(c1[O-])Cc1ccc(cc1)F)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 C15H16FN2O3 MW 291.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17FN2O3/c1-2-3-8-18-14(20)12(13(19)17-15(18)21)9-10-4-6-11(16)7-5-10/h4-7,20H,2-3,8-9H2,1H3,(H,17,19,21)/p-1InChIKey
IVOTZYAPXKLQAW-UHFFFAOYSA-MSynonyms
3butyl5((4fluorophenyl)methyl)26dioxopyrimidin4olate
3butyl5(4fluorobenzyl)6hydroxy2oxo23dihydropyrimidin4olate
CCCCN1C(=C(C(=O)NC1=O)CC2=CC=C(C=C2)F)(O)
CCCCn1c(=O)nc(c(c1(O))Cc1ccc(cc1)F)O
InChI=1SC15H17FN2O3c12381814(20)12(13(19)1715(18)21)9104611(16)7510h4720H2389H21H3(H171921)p1
ZINC000101461207
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