Vitas-M small molecule compound

N-(4-bromo-5-chloro-2-methylphenyl)-4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzamide

Catalog ID
STK258752
SMILES O=C(c1ccc(cc1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)Nc1cc(Cl)c(cc1C)Br

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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 C25H20BrClN2O3 MW 511.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrClN2O3/c1-11-8-18(26)19(27)10-20(11)28-23(30)12-2-4-13(5-3-12)29-24(31)21-14-6-7-15(17-9-16(14)17)22(21)25(29)32/h2-8,10,14-17,21-22H,9H2,1H3,(H,28,30)
InChIKey
HPCRSJOKYPUHRS-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6)Cl)Br
InChI=1SC25H20BrClN2O3c111818(26)19(27)1020(11)2823(30)122413(5312)2924(31)21146715(17916(14)17)22(21)25(29)32h281014172122H9H21H3(H2830)
MFCD03103448
N(4bromo5chloro2methylphenyl)4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzamide
ZINC000239091005
ZINC000239091008

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Available files

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