Vitas-M small molecule compound
2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
Catalog ID
STK253175
SMILES CC(C(N1C(=O)C2C(C1=O)C1CC2C=C1)C(=O)OCC(=O)c1ccc(cc1)F)C
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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 C22H22FNO5 MW 399.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FNO5/c1-11(2)19(22(28)29-10-16(25)12-5-7-15(23)8-6-12)24-20(26)17-13-3-4-14(9-13)18(17)21(24)27/h3-8,11,13-14,17-19H,9-10H2,1-2H3InChIKey
JFAQYCSCVCENRU-UHFFFAOYSA-NSynonyms
2(4fluorophenyl)2oxoethyl2(13dioxo133a477ahexahydro2H47methanoisoindol2yl)3methylbutanoate
CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)F)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI=1SC22H22FNO5c111(2)19(22(28)291016(25)125715(23)8612)2420(26)17133414(913)18(17)21(24)27h381113141719H910H212H3
MFCD03103868
ZINC000101226803
ZINC000239121054
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