Vitas-M small molecule compound
methyl (4Z)-2-methyl-4-(2-nitrobenzylidene)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160458
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccccc1[N+](=O)[O-])c1cccc(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 C21H15F3N2O5 MW 432.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N2O5/c1-12-18(20(28)31-2)16(10-13-6-3-4-9-17(13)26(29)30)19(27)25(12)15-8-5-7-14(11-15)21(22,23)24/h3-11H,1-2H3/b16-10-InChIKey
JTORMBMAMZVOOP-YBEGLDIGSA-NSynonyms
CC1=C(C(=CC2=CC=CC=C2(N+)(=O)(O))C(=O)N1C3=CC=CC(=C3)C(F)(F)F)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccccc1(N+)(=O)(O))c1cccc(c1)C(F)(F)F
InChI=1SC21H15F3N2O5c11218(20(28)312)16(1013634917(13)26(29)30)19(27)25(12)1585714(1115)21(2223)24h311H12H3b1610
METHYL(4Z)2METHYL4((2NITROPHENYL)METHYLIDENE)5OXO1(3(TRIFLUOROMETHYL)PHENYL)PYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL4(2NITROBENZYLIDENE)5OXO1(3(TRIFLUOROMETHYL)PHENYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03711483
ZINC000001161845
ZINC01161845
ZINC1161845
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