Vitas-M small molecule compound
2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylprop-2-en-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK384283
SMILES COc1cc(CCN2C(=O)C3C4(C2CC(=C)C)C=CC(C3C(=O)O)O4)ccc1OC
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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 C23H27NO6 MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO6/c1-13(2)11-18-23-9-7-16(30-23)19(22(26)27)20(23)21(25)24(18)10-8-14-5-6-15(28-3)17(12-14)29-4/h5-7,9,12,16,18-20H,1,8,10-11H2,2-4H3,(H,26,27)InChIKey
YVNOQYLCFXZBIS-UHFFFAOYSA-NSynonyms
(3aS6R7aR)2(34dimethoxyphenethyl)3(2methylallyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
2(2(34dimethoxyphenyl)ethyl)3(2methylprop2en1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC(=C)CC1C23C=CC(O2)C(C3C(=O)N1CCC4=CC(=C(C=C4)OC)OC)C(=O)O
COc1cc(CCN2C(=O)(C@H)3(C@)4(C2CC(=C)C)C=C(C@H)(C3C(=O)O)O4)ccc1OC
InChI=1SC23H27NO6c113(2)1118239716(3023)19(22(26)27)20(23)21(25)24(18)108145615(283)17(1214)294h57912161820H181011H224H3(H2627)
MFCD04041971
ZINC000002095942
ZINC000004046834
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