Vitas-M small molecule compound
propyl (3aS,6R,7aR)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL564279
SMILES CCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CCc1ccccc1)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 C20H23NO4 MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4/c1-2-12-24-19(23)16-15-8-10-20(25-15)13-21(18(22)17(16)20)11-9-14-6-4-3-5-7-14/h3-8,10,15-17H,2,9,11-13H2,1H3/t15-,16?,17+,20-/m1/s1InChIKey
ZVKIQMLVOPYBRU-MQWDNKACSA-NSynonyms
1164499-15-3(3aS6R7aR)propyl1oxo2phenethyl123677ahexahydro3a6epoxyisoindole7carboxylate
1164499153
5389889
CCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1ccccc1)O2
InChI=1SC20H23NO4c12122419(23)161581020(2515)1321(18(22)17(16)20)119146435714h38101517H291113H21H3t1516?17+20m1s1
MFCD04193780
propyl(1S5R7R)4oxo3(2phenylethyl)10oxa3azatricyclo(521015)dec8ene6carboxylate
propyl(3aS6R7aR)1oxo2(2phenylethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000002429165
ZINC000002429166
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