Vitas-M small molecule compound
1-(4-methylphenyl)-1-oxopropan-2-yl 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK270010
SMILES CC(C(=O)c1ccc(cc1)C)OC(=O)c1ccc(cc1)N1C(=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 C28H25NO5 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO5/c1-14-3-5-16(6-4-14)25(30)15(2)34-28(33)17-7-9-18(10-8-17)29-26(31)23-19-11-12-20(22-13-21(19)22)24(23)27(29)32/h3-12,15,19-24H,13H2,1-2H3InChIKey
KRSNHIFJDNQGEF-UHFFFAOYSA-NSynonyms
1(4methylphenyl)1oxopropan2yl4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
1oxo1(ptolyl)propan2yl4(13dioxo33a44a55a66aoctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC28H25NO5c1143516(6414)25(30)15(2)3428(33)177918(10817)2926(31)2319111220(221321(19)22)24(23)27(29)32h312151924H13H212H3
MFCD02189091
ZINC000239128734
ZINC000239128737
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