Vitas-M small molecule compound
pentyl (3aS,6R,7aR)-2-(2-methylpropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL564239
SMILES CCCCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CC(C)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 C18H27NO4 MW 321.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27NO4/c1-4-5-6-9-22-17(21)14-13-7-8-18(23-13)11-19(10-12(2)3)16(20)15(14)18/h7-8,12-15H,4-6,9-11H2,1-3H3/t13-,14?,15+,18-/m1/s1InChIKey
JLQVNGXUFJICMN-NYELBAIQSA-NSynonyms
1212461-19-2(3aS6R7aR)pentyl2isobutyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1212461192
17577127
CCCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CC(C)C)O2
InChI=1SC18H27NO4c145692217(21)14137818(2313)1119(1012(2)3)16(20)15(14)18h781215H46911H213H3t1314?15+18m1s1
MFCD03662026
pentyl(1S5R7R)3(2methylpropyl)4oxo10oxa3azatricyclo(521015)dec8ene6carboxylate
pentyl(3aS6R7aR)2(2methylpropyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000002441028
ZINC000002441029
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