Vitas-M small molecule compound
(5E)-1-(3-chloro-4-methylphenyl)-5-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175247
SMILES COc1cc(ccc1OCc1cccc(c1)F)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)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 C26H20ClFN2O5 MW 494.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClFN2O5/c1-15-6-8-19(13-21(15)27)30-25(32)20(24(31)29-26(30)33)11-16-7-9-22(23(12-16)34-2)35-14-17-4-3-5-18(28)10-17/h3-13H,14H2,1-2H3,(H,29,31,33)/b20-11+InChIKey
AUJVGAKMDJTVQG-RGVLZGJSSA-NSynonyms
(5E)1(3CHLORO4METHYLPHENYL)5((4((3FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(3CHLORO4METHYLPHENYL)5(4((3FLUOROBENZYL)OXY)3METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)OC)C(=O)NC2=O)Cl
COc1cc(ccc1OCc1cccc(c1)F)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C
InChI=1SC26H20ClFN2O5c1156819(1321(15)27)3025(32)20(24(31)2926(30)33)11167922(23(1216)342)35141743518(28)1017h313H14H212H3(H293133)b2011+
MFCD04556310
ZINC000001160580
ZINC01160580
ZINC1160580
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