Vitas-M small molecule compound

6-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoic acid

Catalog ID
STK269986
SMILES OC(=O)CCCCCN1C(=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 C17H21NO4 MW 303.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO4/c19-13(20)4-2-1-3-7-18-16(21)14-9-5-6-10(12-8-11(9)12)15(14)17(18)22/h5-6,9-12,14-15H,1-4,7-8H2,(H,19,20)
InChIKey
ZDJUKAJXDZBLHX-UHFFFAOYSA-N
Synonyms
381723-87-1
381723871
6(13dioxo33a44a55a66aoctahydro46ethenocyclopropa(f)isoindol2(1H)yl)hexanoicacid
6(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)hexanoicacid
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCCCCC(=O)O
InChI=1SC17H21NO4c1913(20)421371816(21)1495610(12811(9)12)15(14)17(18)22h569121415H1478H2(H1920)
MFCD02189057
ZINC000100751466
ZINC000239259392

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Available files

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