Vitas-M small molecule compound
2-(2,5-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK381104
SMILES Cc1ccc(c(c1)C(=O)COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)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 C28H25NO5 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO5/c1-14-7-8-15(2)19(11-14)23(30)13-34-28(33)18-5-3-4-6-22(18)29-26(31)24-16-9-10-17(21-12-20(16)21)25(24)27(29)32/h3-11,16-17,20-21,24-25H,12-13H2,1-2H3InChIKey
YTYVWKQNBOUIQA-UHFFFAOYSA-NSynonyms
2(25dimethylphenyl)2oxoethyl2(13dioxo33a44a55a66aoctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
2(25dimethylphenyl)2oxoethyl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=CC=C2N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC28H25NO5c1147815(2)19(1114)23(30)133428(33)18534622(18)2926(31)241691017(211220(16)21)25(24)27(29)32h311161720212425H1213H212H3
MFCD02189097
ZINC000239433936
ZINC000239433939
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