Vitas-M small molecule compound

ethyl 4-(4-bromophenyl)-2-methyl-5-oxo-4a,5-dihydro-4H-indeno[1,2-b]pyridine-3-carboxylate

Catalog ID
STK076727
SMILES CCOC(=O)C1=C(C)N=C2C(C1c1ccc(cc1)Br)C(=O)c1c2cccc1

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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 C22H18BrNO3 MW 424.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrNO3/c1-3-27-22(26)17-12(2)24-20-15-6-4-5-7-16(15)21(25)19(20)18(17)13-8-10-14(23)11-9-13/h4-11,18-19H,3H2,1-2H3
InChIKey
QOXYKTGEDLAAAB-UHFFFAOYSA-N
Synonyms
331944-67-3
331944673
4(4BROMOPHENYL)2METHYL5OXO4A5DIHYDRO4HINDENO(12B)PYRIDINE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C)N=C2C(C1c1ccc(cc1)Br)C(=O)c1c2cccc1
CCOC(=O)C1=C(N=C2C(C1C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C42)C
ETHYL4(4BROMOPHENYL)2METHYL5OXO44ADIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
ETHYL4(4BROMOPHENYL)2METHYL5OXO4A5DIHYDRO4HINDENO(12B)PYRIDINE3CARBOXYLATE
ETHYL4(4BROMOPHENYL)2METHYL5OXO4H4AH5HINDENO(12B)PYRIDINE3CARBOXYLATE
InChI=1SC22H18BrNO3c132722(26)1712(2)242015645716(15)21(25)19(20)18(17)1381014(23)11913h4111819H3H212H3
MFCD01068272
STK076727
ZINC000004658681
ZINC000019733268

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Available files

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