Vitas-M small molecule compound
methyl (5E)-2-methyl-5-(4-nitrobenzylidene)-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK159949
SMILES COC(=O)C1=C(C)N/C(=C/c2ccc(cc2)[N+](=O)[O-])/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 C14H12N2O5 MW 288.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O5/c1-8-12(14(18)21-2)13(17)11(15-8)7-9-3-5-10(6-4-9)16(19)20/h3-7,15H,1-2H3/b11-7+InChIKey
KDASGMCGRWDEHN-YRNVUSSQSA-NSynonyms
CC1=C(C(=O)C(=CC2=CC=C(C=C2)(N+)(=O)(O))N1)C(=O)OC
COC(=O)C1=C(C)NC(=Cc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC14H12N2O5c1812(14(18)212)13(17)11(158)793510(649)16(19)20h3715H12H3b117+
METHYL(5E)2METHYL5((4NITROPHENYL)METHYLIDENE)4OXO1HPYRROLE3CARBOXYLATE
METHYL(5E)2METHYL5(4NITROBENZYLIDENE)4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01893507
ZINC000004094858
ZINC04094858
ZINC4094858
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