Vitas-M small molecule compound
2-(4-methylphenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)cyclohexanecarboxylate
Catalog ID
STK359376
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)OCC(=O)c1ccc(cc1)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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-14-2-4-15(5-3-14)22(29)13-33-27(32)16-6-8-17(9-7-16)28-25(30)23-18-10-11-19(21-12-20(18)21)24(23)26(28)31/h2-5,10-11,16-21,23-24H,6-9,12-13H2,1H3InChIKey
IDCGOHWPCVBUIU-UHFFFAOYSA-NSynonyms
2(4methylphenyl)2oxoethyl4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)cyclohexanecarboxylate
CC1=CC=C(C=C1)C(=O)COC(=O)C2CCC(CC2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC27H29NO5c1142415(5314)22(29)133327(32)166817(9716)2825(30)2318101119(211220(18)21)24(23)26(28)31h25101116212324H691213H21H3
MFCD02915359
ZINC000239105256
ZINC000239105259
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