Vitas-M small molecule compound
ethyl (5E)-5-[3-(methoxycarbonyl)benzylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK159963
SMILES CCOC(=O)C1=C(C)N/C(=C/c2cccc(c2)C(=O)OC)/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 C17H17NO5 MW 315.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO5/c1-4-23-17(21)14-10(2)18-13(15(14)19)9-11-6-5-7-12(8-11)16(20)22-3/h5-9,18H,4H2,1-3H3/b13-9+InChIKey
LCDGBVSNTCCAOC-UKTHLTGXSA-NSynonyms
(E)ethyl5(3(methoxycarbonyl)benzylidene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
CCOC(=O)C1=C(C)NC(=Cc2cccc(c2)C(=O)OC)C1=O
CCOC(=O)C1=C(NC(=CC2=CC(=CC=C2)C(=O)OC)C1=O)C
ETHYL(5E)5((3METHOXYCARBONYLPHENYL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
ETHYL(5E)5(3(METHOXYCARBONYL)BENZYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC17H17NO5c142317(21)1410(2)1813(15(14)19)91165712(811)16(20)223h5918H4H213H3b139+
MFCD01465200
ZINC000002305454
ZINC02305454
ZINC2305454
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