Vitas-M small molecule compound
2-(4-methoxyphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-4-methylpentanoate
Catalog ID
STK724088
SMILES COc1ccc(cc1)C(=O)COC(=O)C(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)CC(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 C26H29NO6 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO6/c1-13(2)10-20(26(31)33-12-21(28)14-4-6-15(32-3)7-5-14)27-24(29)22-16-8-9-17(19-11-18(16)19)23(22)25(27)30/h4-9,13,16-20,22-23H,10-12H2,1-3H3InChIKey
JAZHFDVHOFZQIP-UHFFFAOYSA-NSynonyms
(2S)2(4methoxyphenyl)2oxoethyl2(13dioxo33a44a55a66aoctahydro46ethenocyclopropa(f)isoindol2(1H)yl)4methylpentanoate
2(4methoxyphenyl)2oxoethyl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)4methylpentanoate
CC(C)CC(C(=O)OCC(=O)C1=CC=C(C=C1)OC)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
COc1ccc(cc1)C(=O)COC(=O)(C@@H)(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)CC(C)C
InChI=1SC26H29NO6c113(2)1020(26(31)331221(28)144615(323)7514)2724(29)22168917(191118(16)19)23(22)25(27)30h491316202223H1012H213H3
MFCD03162557
ZINC000239322015
ZINC000239322018
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