Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK270000
SMILES O=C1N(c2ccc(cc2)C(=O)OCC(=O)c2ccc(c(c2)C)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 C28H25NO5 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO5/c1-14-3-4-17(11-15(14)2)23(30)13-34-28(33)16-5-7-18(8-6-16)29-26(31)24-19-9-10-20(22-12-21(19)22)25(24)27(29)32/h3-11,19-22,24-25H,12-13H2,1-2H3InChIKey
USXADNRLFZSHMY-UHFFFAOYSA-NSynonyms
2(34dimethylphenyl)2oxoethyl4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6)C
InChI=1SC28H25NO5c1143417(1115(14)2)23(30)133428(33)165718(8616)2926(31)241991020(221221(19)22)25(24)27(29)32h31119222425H1213H212H3
MFCD02189079
ZINC000239229123
ZINC000239229126
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