Vitas-M small molecule compound
butyl (3aS,6R,7aR)-2-(furan-2-ylmethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL562978
SMILES CCCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)Cc1ccco1)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 C18H21NO5 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5/c1-2-3-8-23-17(21)14-13-6-7-18(24-13)11-19(16(20)15(14)18)10-12-5-4-9-22-12/h4-7,9,13-15H,2-3,8,10-11H2,1H3/t13-,14?,15+,18-/m1/s1InChIKey
YFTJDKJZUDIPTE-NYELBAIQSA-NSynonyms
957030-75-0(3aS6R7aR)butyl2(furan2ylmethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398454
957030750
butyl(1S5R7R)3(furan2ylmethyl)4oxo10oxa3azatricyclo(521015)dec8ene6carboxylate
butyl(3aS6R7aR)2(furan2ylmethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1ccco1)O2
InChI=1SC18H21NO5c12382317(21)14136718(2413)1119(16(20)15(14)18)10125492212h4791315H2381011H21H3t1314?15+18m1s1
MFCD03662266
ZINC000002146087
ZINC000003905461
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