Vitas-M small molecule compound

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

Catalog ID
STK258407
SMILES COc1cccc(c1)C(=O)N(c1ccccc1OC)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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-33-16-7-5-6-15(12-16)25(30)28(21-8-3-4-9-22(21)34-2)14-29-26(31)23-17-10-11-18(20-13-19(17)20)24(23)27(29)32/h3-12,17-20,23-24H,13-14H2,1-2H3
InChIKey
KQZDGUXTCDGRMF-UHFFFAOYSA-N
Synonyms

COC1=CC=CC(=C1)C(=O)N(CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)C6=CC=CC=C6OC
InChI=1SC27H26N2O5c1331675615(1216)25(30)28(21834922(21)342)142926(31)2317101118(201319(17)20)24(23)27(29)32h31217202324H1314H212H3
MFCD03836653
N((13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)methyl)3methoxyN(2methoxyphenyl)benzamide
ZINC000239128721
ZINC000239128724

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Available files

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