Vitas-M small molecule compound
(5E)-1-(2,4-dimethoxyphenyl)-5-[3-fluoro-4-(morpholin-4-yl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK202527
SMILES COc1ccc(c(c1)OC)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)F)N2CCOCC2)/C1=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 C23H22FN3O6 MW 455.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN3O6/c1-31-15-4-6-19(20(13-15)32-2)27-22(29)16(21(28)25-23(27)30)11-14-3-5-18(17(24)12-14)26-7-9-33-10-8-26/h3-6,11-13H,7-10H2,1-2H3,(H,25,28,30)/b16-11+InChIKey
OUCODUCKYQNGDX-LFIBNONCSA-NSynonyms
(5E)1(24dimethoxyphenyl)5((3fluoro4morpholin4ylphenyl)methylidene)13diazinane246trione
(5E)1(24DIMETHOXYPHENYL)5(3FLUORO4(MORPHOLIN4YL)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
COC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N4CCOCC4)F)C(=O)NC2=O)OC
COc1ccc(c(c1)OC)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)F)N2CCOCC2)C1=O
InChI=1SC23H22FN3O6c131154619(20(1315)322)2722(29)16(21(28)2523(27)30)11143518(17(24)1214)26793310826h361113H710H212H3(H252830)b1611+
MFCD06666713
ZINC000009970970
ZINC09970970
ZINC9970970
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