Vitas-M small molecule compound
methyl (4Z)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161651
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)[N+](=O)[O-])CC1CCCO1
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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 C19H20N2O6 MW 372.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O6/c1-12-17(19(23)26-2)16(10-13-5-7-14(8-6-13)21(24)25)18(22)20(12)11-15-4-3-9-27-15/h5-8,10,15H,3-4,9,11H2,1-2H3/b16-10-InChIKey
UULCJRGIRBBPAN-YBEGLDIGSA-NSynonyms
(Z)methyl2methyl4(4nitrobenzylidene)5oxo1((tetrahydrofuran2yl)methyl)45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC=C(C=C2)(N+)(=O)(O))C(=O)N1CC3CCCO3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)(N+)(=O)(O))CC1CCCO1
InChI=1SC19H20N2O6c11217(19(23)262)16(10135714(8613)21(24)25)18(22)20(12)11154392715h581015H34911H212H3b1610
METHYL(4Z)2METHYL4((4NITROPHENYL)METHYLIDENE)5OXO1(OXOLAN2YLMETHYL)PYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL4(4NITROBENZYLIDENE)5OXO1(TETRAHYDROFURAN2YLMETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD02217580
ZINC000000897923
ZINC000000897929
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