Vitas-M small molecule compound
[3-(4-methoxyphenyl)-4-{(E)-2-[2-oxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4-yl]ethenyl}-1H-pyrazol-1-yl]acetic acid
Catalog ID
STK667351
SMILES COc1ccc(cc1)c1nn(cc1/C=C/c1cc(nc(=O)[nH]1)C(F)(F)F)CC(=O)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 C19H15F3N4O4 MW 420.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15F3N4O4/c1-30-14-6-3-11(4-7-14)17-12(9-26(25-17)10-16(27)28)2-5-13-8-15(19(20,21)22)24-18(29)23-13/h2-9H,10H2,1H3,(H,27,28)(H,23,24,29)/b5-2+InChIKey
LJKCBYVCOWZLBE-GORDUTHDSA-NSynonyms
(3(4methoxyphenyl)4((E)2(2oxo6(trifluoromethyl)23dihydropyrimidin4yl)ethenyl)1Hpyrazol1yl)aceticacid
2(3(4METHOXYPHENYL)4((E)2(2OXO6(TRIFLUOROMETHYL)1HPYRIMIDIN4YL)ETHENYL)PYRAZOL1YL)ACETICACID
COC1=CC=C(C=C1)C2=NN(C=C2C=CC3=NC(=O)NC(=C3)C(F)(F)F)CC(=O)O
COc1ccc(cc1)c1nn(cc1C=Cc1cc(nc(=O)(nH)1)C(F)(F)F)CC(=O)O
InChI=1SC19H15F3N4O4c130146311(4714)1712(926(2517)1016(27)28)2513815(19(2021)22)2418(29)2313h29H10H21H3(H2728)(H232429)b52+
MFCD05858217
ZINC000012370961
ZINC12370961
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