Vitas-M small molecule compound
2-(2-chlorophenyl)-1-oxo-3-(prop-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL003897
SMILES C=CCC1N(C(=O)C2C31C=CC(O3)C2C(=O)O)c1ccccc1Cl
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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 C18H16ClNO4 MW 345.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO4/c1-2-5-13-18-9-8-12(24-18)14(17(22)23)15(18)16(21)20(13)11-7-4-3-6-10(11)19/h2-4,6-9,12-15H,1,5H2,(H,22,23)InChIKey
WUUOXQDEXRFYJX-UHFFFAOYSA-NSynonyms
(3aS6R)3allyl2(2chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
2(2chlorophenyl)1oxo3(prop2en1yl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
C=CCC1C23C=CC(O2)C(C3C(=O)N1C4=CC=CC=C4Cl)C(=O)O
C=CCC1N(C(=O)C2(C@)31C=C(C@@H)(O3)C2C(=O)O)c1ccccc1Cl
InChI=1SC18H16ClNO4c12513189812(2418)14(17(22)23)15(18)16(21)20(13)11743610(11)19h24691215H15H2(H2223)
MFCD03723859
ZINC000000536070
ZINC000013644662
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