Vitas-M small molecule compound
butyl (3aS,6R,7aR)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL564288
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 C18H25NO5 MW 335.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25NO5/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/h6-7,12-15H,2-5,8-11H2,1H3/t12?,13-,14?,15+,18-/m1/s1InChIKey
QSRQIVDNIIEXJH-HCEOLYFYSA-NSynonyms
1212456-38-6(3aS6R7aR)butyl1oxo2((tetrahydrofuran2yl)methyl)123677ahexahydro3a6epoxyisoindole7carboxylate
1212456386
17575215
butyl(1S5R7R)4oxo3(oxolan2ylmethyl)10oxa3azatricyclo(521015)dec8ene6carboxylate
butyl(3aS6R7aR)1oxo2(tetrahydrofuran2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC18H25NO5c12382317(21)14136718(2413)1119(16(20)15(14)18)10125492212h671215H25811H21H3t12?1314?15+18m1s1
MFCD04176636
ZINC000002404605
ZINC000002404608
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