Vitas-M small molecule compound
ethyl (5E)-2-methyl-5-(4-methylbenzylidene)-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK159977
SMILES CCOC(=O)C1=C(C)N/C(=C/c2ccc(cc2)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 C16H17NO3 MW 271.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO3/c1-4-20-16(19)14-11(3)17-13(15(14)18)9-12-7-5-10(2)6-8-12/h5-9,17H,4H2,1-3H3/b13-9+InChIKey
KDWLWASWDAEIAK-UKTHLTGXSA-NSynonyms
(E)ethyl2methyl5(4methylbenzylidene)4oxo45dihydro1Hpyrrole3carboxylate
CCOC(=O)C1=C(C)NC(=Cc2ccc(cc2)C)C1=O
CCOC(=O)C1=C(NC(=CC2=CC=C(C=C2)C)C1=O)C
ETHYL(5E)2METHYL5((4METHYLPHENYL)METHYLIDENE)4OXO1HPYRROLE3CARBOXYLATE
ETHYL(5E)2METHYL5(4METHYLBENZYLIDENE)4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL2METHYL5(4METHYLBENZYLIDENE)4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL5METHYL2((4METHYLPHENYL)METHYLENE)3OXOAZOLINE4CARBOXYLATE
InChI=1SC16H17NO3c142016(19)1411(3)1713(15(14)18)9127510(2)6812h5917H4H213H3b139+
MFCD00685943
ZINC000000083440
ZINC00083440
ZINC83440
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