Vitas-M small molecule compound
methyl (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160873
SMILES COC(=O)C1=C(C)N/C(=C/c2cc(n(c2C)c2ccccc2C(F)(F)F)C)/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 C21H19F3N2O3 MW 404.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F3N2O3/c1-11-9-14(10-16-19(27)18(12(2)25-16)20(28)29-4)13(3)26(11)17-8-6-5-7-15(17)21(22,23)24/h5-10,25H,1-4H3/b16-10+InChIKey
CUVOUHXXDTVHJD-MHWRWJLKSA-NSynonyms
(5E)2METHYL4OXO5((1(2(TRIFLUOROMETHYL)PHENYL)25DIMETHYL1HPYRROLE3YL)METHYLENE)45DIHYDRO1HPYRROLE3CARBOXYLICACIDMETHYLESTER
(Z)methyl5((25dimethyl1(2(trifluoromethyl)phenyl)1Hpyrrol3yl)methylene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
CC1=CC(=C(N1C2=CC=CC=C2C(F)(F)F)C)C=C3C(=O)C(=C(N3)C)C(=O)OC
COC(=O)C1=C(C)NC(=Cc2cc(n(c2C)c2ccccc2C(F)(F)F)C)C1=O
InChI=1SC21H19F3N2O3c111914(101619(27)18(12(2)2516)20(28)294)13(3)26(11)17865715(17)21(2223)24h51025H14H3b1610+
METHYL(5E)5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)1HPYRROL3YL)METHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)PYRROL3YL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
MFCD08672146
ZINC000002075957
ZINC02075957
ZINC2075957
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.