Vitas-M small molecule compound
2-(4-methylphenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate
Catalog ID
STK387089
SMILES O=C(OCC(=O)c1ccc(cc1)C)CCN1C(=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 C23H23NO5 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5/c1-12-2-4-13(5-3-12)18(25)11-29-19(26)8-9-24-22(27)20-14-6-7-15(17-10-16(14)17)21(20)23(24)28/h2-7,14-17,20-21H,8-11H2,1H3InChIKey
QRDAQKFOOJDULX-UHFFFAOYSA-NSynonyms
2(4METHYLPHENYL)2OXOETHYL3((3AR4S4AR5AS6R6AS)13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)PROPANOATE
2(4methylphenyl)2oxoethyl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanoate
2oxo2(ptolyl)ethyl3(13dioxo33a44a55a66aoctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanoate
CC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC23H23NO5c1122413(5312)18(25)112919(26)892422(27)20146715(171016(14)17)21(20)23(24)28h2714172021H811H21H3
MFCD02189069
ZINC000195375852
ZINC000239175816
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