Vitas-M small molecule compound

N-(4-chloro-2-hydroxyphenyl)-2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanamide

Catalog ID
STK253631
SMILES O=C(C(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C)Nc1ccc(cc1O)Cl

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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 C20H19ClN2O4 MW 386.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O4/c1-8(18(25)22-14-5-2-9(21)6-15(14)24)23-19(26)16-10-3-4-11(13-7-12(10)13)17(16)20(23)27/h2-6,8,10-13,16-17,24H,7H2,1H3,(H,22,25)
InChIKey
KSCUEBQNXNWXRI-UHFFFAOYSA-N
Synonyms

CC(C(=O)NC1=C(C=C(C=C1)Cl)O)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC20H19ClN2O4c18(18(25)2214529(21)615(14)24)2319(26)16103411(13712(10)13)17(16)20(23)27h2681013161724H7H21H3(H2225)
MFCD02916105
N(4chloro2hydroxyphenyl)2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanamide
ZINC000239128740
ZINC000239128743

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Available files

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