Vitas-M small molecule compound
4-[(E)-2-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}ethenyl]-6-(trifluoromethyl)pyrimidin-2(1H)-one
Catalog ID
STK767137
SMILES COc1cc(ccc1OCc1ccccc1F)/C=C/c1nc(=O)[nH]c(c1)C(F)(F)F
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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 C21H16F4N2O3 MW 420.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F4N2O3/c1-29-18-10-13(6-8-15-11-19(21(23,24)25)27-20(28)26-15)7-9-17(18)30-12-14-4-2-3-5-16(14)22/h2-11H,12H2,1H3,(H,26,27,28)/b8-6+InChIKey
RUPJKAAUKLCARO-SOFGYWHQSA-NSynonyms
4((E)2(4((2fluorobenzyl)oxy)3methoxyphenyl)ethenyl)6(trifluoromethyl)pyrimidin2(1H)one
4((E)2(4((2FLUOROPHENYL)METHOXY)3METHOXYPHENYL)ETHENYL)6(TRIFLUOROMETHYL)1HPYRIMIDIN2ONE
COC1=C(C=CC(=C1)C=CC2=NC(=O)NC(=C2)C(F)(F)F)OCC3=CC=CC=C3F
COc1cc(ccc1OCc1ccccc1F)C=Cc1nc(=O)(nH)c(c1)C(F)(F)F
InChI=1SC21H16F4N2O3c129181013(68151119(21(2324)25)2720(28)2615)7917(18)301214423516(14)22h211H12H21H3(H262728)b86+
MFCD02623526
ZINC000009968714
ZINC09968714
ZINC9968714
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