Vitas-M small molecule compound
ethyl 2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384082
SMILES CCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(cc1)C)O2
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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 C18H19NO4 MW 313.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO4/c1-3-22-17(21)14-13-8-9-18(23-13)10-19(16(20)15(14)18)12-6-4-11(2)5-7-12/h4-9,13-15H,3,10H2,1-2H3InChIKey
FFWORHUJCFCVGH-UHFFFAOYSA-NSynonyms
(3aS6R7aR)ethyl1oxo2(ptolyl)123677ahexahydro3a6epoxyisoindole7carboxylate
CCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)C)O2
CCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=C(C=C4)C)O2
ethyl2(4methylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC18H19NO4c132217(21)14138918(2313)1019(16(20)15(14)18)126411(2)5712h491315H310H212H3
MFCD03800728
ZINC000226753837
ZINC000239038984
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