Vitas-M small molecule compound

[4-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,3-dihydro-1H-pyrrol-3-yl]acetic acid

Catalog ID
STK087225
SMILES CCOC(=O)C1=C(C)N(C(=O)C1CC(=O)O)c1ccccc1

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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 C16H17NO5 MW 303.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO5/c1-3-22-16(21)14-10(2)17(11-7-5-4-6-8-11)15(20)12(14)9-13(18)19/h4-8,12H,3,9H2,1-2H3,(H,18,19)
InChIKey
NEAAMVGPWZFMQJ-UHFFFAOYSA-N
Synonyms
143954-25-0
(4(ETHOXYCARBONYL)5METHYL2OXO1PHENYL23DIHYDRO1HPYRROL3YL)ACETICACID
143954250
2(3(ETHOXYCARBONYL)2METHYL5OXO1PHENYL2PYRROLIN4YL)ACETICACID
2(4(ethoxycarbonyl)5methyl2oxo1phenyl23dihydro1Hpyrrol3yl)aceticacid
2(4ETHOXYCARBONYL5METHYL2OXO1PHENYL3HPYRROL3YL)ACETICACID
4CARBOXYMETHYL2METHYL5OXO1PHENYL45DIHYDRO1HPYRROLE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C)N(C(=O)C1CC(=O)O)c1ccccc1
CCOC(=O)C1=C(N(C(=O)C1CC(=O)O)C2=CC=CC=C2)C
InChI=1SC16H17NO5c132216(21)1410(2)17(117546811)15(20)12(14)913(18)19h4812H39H212H3(H1819)
MFCD00682440
STK087225
ZINC000000266639
ZINC000018137590

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.