Vitas-M small molecule compound
(3aS,6R,7aR)-2-(2-methylphenyl)-1-oxo-3-(prop-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL526194
SMILES C=CCC1N(C(=O)[C@H]2[C@]31C=C[C@H](O3)C2C(=O)O)c1ccccc1C
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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 C19H19NO4 MW 325.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO4/c1-3-6-14-19-10-9-13(24-19)15(18(22)23)16(19)17(21)20(14)12-8-5-4-7-11(12)2/h3-5,7-10,13-16H,1,6H2,2H3,(H,22,23)/t13-,14?,15?,16+,19-/m1/s1InChIKey
YVOPSVWVGZDOKC-GDWAVCMYSA-NSynonyms
1212458-62-2(1~(S)5~(R)7~(R))3(2methylphenyl)4oxo2prop2enyl10oxa3azatricyclo(5210^(15))dec8ene6carboxylicacid
(3aS6R7aR)2(2methylphenyl)1oxo3(prop2en1yl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
(3aS6R7aR)3allyl1oxo2(otolyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
1212458622
16397288
C=CCC1N(C(=O)(C@H)2(C@)31C=C(C@@H)(O3)C2C(=O)O)c1ccccc1C
InChI=1SC19H19NO4c136141910913(2419)15(18(22)23)16(19)17(21)20(14)12854711(12)2h357101316H16H22H3(H2223)t1314?15?16+19m1s1
MFCD02925686
ZINC000004029002
ZINC000004029005
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