Vitas-M small molecule compound
1-(4-methylphenyl)-1-oxopropan-2-yl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate
Catalog ID
STK381113
SMILES CCCCC(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C(=O)OC(C(=O)c1ccc(cc1)C)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 C27H31NO5 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO5/c1-4-5-6-21(27(32)33-15(3)24(29)16-9-7-14(2)8-10-16)28-25(30)22-17-11-12-18(20-13-19(17)20)23(22)26(28)31/h7-12,15,17-23H,4-6,13H2,1-3H3InChIKey
DODZLIYLUHLZKM-UHFFFAOYSA-NSynonyms
1(4methylphenyl)1oxopropan2yl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)hexanoate
CCCCC(C(=O)OC(C)C(=O)C1=CC=C(C=C1)C)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC27H31NO5c145621(27(32)3315(3)24(29)169714(2)81016)2825(30)2217111218(201319(17)20)23(22)26(28)31h712151723H4613H213H3
MFCD02189129
ZINC000239038625
ZINC000239038628
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