Vitas-M small molecule compound

N-[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)methyl]-3-methoxy-N-(2-methylphenyl)benzamide

Catalog ID
STK258319
SMILES COc1cccc(c1)C(=O)N(c1ccccc1C)CN1C(=O)C2C(C1=O)C1C=CC2C2C1C2

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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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-15-6-3-4-9-22(15)28(25(30)16-7-5-8-17(12-16)33-2)14-29-26(31)23-18-10-11-19(21-13-20(18)21)24(23)27(29)32/h3-12,18-21,23-24H,13-14H2,1-2H3
InChIKey
YHRFHSKJRRFPRY-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1N(CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)C(=O)C6=CC(=CC=C6)OC
InChI=1SC27H26N2O4c115634922(15)28(25(30)1675817(1216)332)142926(31)2318101119(211320(18)21)24(23)27(29)32h31218212324H1314H212H3
MFCD03836646
N((13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)methyl)3methoxyN(2methylphenyl)benzamide
ZINC000239433679
ZINC000239433682

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Available files

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