Vitas-M small molecule compound

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

Catalog ID
STK253455
SMILES COc1cccc(c1)C(=O)N(c1ccc(cc1)C)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/c1-15-6-8-17(9-7-15)28(25(30)16-4-3-5-18(12-16)33-2)14-29-26(31)23-19-10-11-20(22-13-21(19)22)24(23)27(29)32/h3-12,19-24H,13-14H2,1-2H3
InChIKey
QJZWTKQQZUCRIR-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)N(CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)C(=O)C6=CC(=CC=C6)OC
InChI=1SC27H26N2O4c1156817(9715)28(25(30)1643518(1216)332)142926(31)2319101120(221321(19)22)24(23)27(29)32h3121924H1314H212H3
MFCD03836644
N((13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)methyl)3methoxyN(4methylphenyl)benzamide
ZINC000245226319
ZINC000245226322

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Available files

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