Vitas-M small molecule compound
2-(4-methylphenyl)-2-oxoethyl 6-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate
Catalog ID
STK359325
SMILES O=C(OCC(=O)c1ccc(cc1)C)CCCCCN1C(=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 C26H29NO5 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO5/c1-15-6-8-16(9-7-15)21(28)14-32-22(29)5-3-2-4-12-27-25(30)23-17-10-11-18(20-13-19(17)20)24(23)26(27)31/h6-11,17-20,23-24H,2-5,12-14H2,1H3InChIKey
RCRDVPPOKMVRTM-UHFFFAOYSA-NSynonyms
2(4methylphenyl)2oxoethyl6(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)hexanoate
CC1=CC=C(C=C1)C(=O)COC(=O)CCCCCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC26H29NO5c1156816(9715)21(28)143222(29)5324122725(30)2317101118(201319(17)20)24(23)26(27)31h61117202324H251214H21H3
MFCD02314589
ZINC000239402771
ZINC000239402774
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