Vitas-M small molecule compound
methyl (4Z)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160339
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)[N+](=O)[O-])CCc1ccccc1
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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 C22H20N2O5 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5/c1-15-20(22(26)29-2)19(14-17-8-10-18(11-9-17)24(27)28)21(25)23(15)13-12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3/b19-14-InChIKey
NAFGSKSXIFGJNN-RGEXLXHISA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)(N+)(=O)(O))C(=O)N1CCC3=CC=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)(N+)(=O)(O))CCc1ccccc1
InChI=1SC22H20N2O5c11520(22(26)292)19(141781018(11917)24(27)28)21(25)23(15)1312166435716h31114H1213H212H3b1914
methyl(4Z)2methyl4((4nitrophenyl)methylidene)5oxo1(2phenylethyl)pyrrole3carboxylate
METHYL(4Z)2METHYL4((4NITROPHENYL)METHYLIDENE)5OXO1PHENETHYLPYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL4(4NITROBENZYLIDENE)5OXO1(2PHENYLETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03710826
ZINC000001074375
ZINC01074375
ZINC1074375
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