Vitas-M small molecule compound
3-acetylphenyl 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK387188
SMILES O=C1N(c2ccc(cc2)C(=O)Oc2cccc(c2)C(=O)C)C(=O)C2C1C1C=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 C26H21NO5 MW 427.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO5/c1-13(28)15-3-2-4-17(11-15)32-26(31)14-5-7-16(8-6-14)27-24(29)22-18-9-10-19(21-12-20(18)21)23(22)25(27)30/h2-11,18-23H,12H2,1H3InChIKey
QSAUNIFIEJHIJN-UHFFFAOYSA-NSynonyms
3acetylphenyl4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
CC(=O)C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC26H21NO5c113(28)1532417(1115)3226(31)145716(8614)2724(29)221891019(211220(18)21)23(22)25(27)30h2111823H12H21H3
MFCD02314701
ZINC000239175835
ZINC000239175838
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