Vitas-M small molecule compound
2-methylphenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK359346
SMILES O=C(c1cccc(c1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)Oc1ccccc1C
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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 C25H21NO4 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO4/c1-13-5-2-3-8-20(13)30-25(29)14-6-4-7-15(11-14)26-23(27)21-16-9-10-17(19-12-18(16)19)22(21)24(26)28/h2-11,16-19,21-22H,12H2,1H3InChIKey
WMWUOHCUGAOQAH-UHFFFAOYSA-NSynonyms
2methylphenyl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
CC1=CC=CC=C1OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC25H21NO4c113523820(13)3025(29)1464715(1114)2623(27)211691017(191218(16)19)22(21)24(26)28h21116192122H12H21H3
MFCD02314633
ZINC000239235692
ZINC000239235695
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