Vitas-M small molecule compound

2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-{1-[(4-methoxyphenyl)carbonyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-N-phenylacetamide

Catalog ID
STK508631
SMILES COc1ccc(cc1)C(=O)N1C(C)CC(c2c1cccc2)N(C(=O)Cn1c(=O)c2cccc3c2c(c1=O)ccc3)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 C38H31N3O5 MW 609.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H31N3O5/c1-24-22-33(29-14-6-7-17-32(29)40(24)36(43)26-18-20-28(46-2)21-19-26)41(27-12-4-3-5-13-27)34(42)23-39-37(44)30-15-8-10-25-11-9-16-31(35(25)30)38(39)45/h3-21,24,33H,22-23H2,1-2H3
InChIKey
MTOJTXRAOPVHBX-UHFFFAOYSA-N
Synonyms
332019-70-2
2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)N(1((4methoxyphenyl)carbonyl)2methyl1234tetrahydroquinolin4yl)Nphenylacetamide
2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)N(1(4methoxybenzoyl)2methyl1234tetrahydroquinolin4yl)Nphenylacetamide
2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)N(1(4METHOXYBENZOYL)2METHYL34DIHYDRO2HQUINOLIN4YL)NPHENYLACETAMIDE
332019702
CC1CC(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OC)N(C4=CC=CC=C4)C(=O)CN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O
InChI=1SC38H31N3O5c1242233(2914671732(29)40(24)36(43)26182028(462)211926)41(27124351327)34(42)233937(44)3015810251191631(35(25)30)38(39)45h3212433H2223H212H3
MFCD01171496
ZINC000098050450
ZINC000098050453

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Available files

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