Vitas-M small molecule compound
benzyl (3aS,6R,7aR)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL564180
SMILES O=C(C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CCc1ccccc1)O2)OCc1ccccc1
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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 C24H23NO4 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO4/c26-22-21-20(23(27)28-15-18-9-5-2-6-10-18)19-11-13-24(21,29-19)16-25(22)14-12-17-7-3-1-4-8-17/h1-11,13,19-21H,12,14-16H2/t19-,20?,21+,24-/m1/s1InChIKey
VNQRMKOLDDYPTA-LYUBYTMKSA-NSynonyms
1212468-01-3(3aS6R7aR)benzyl1oxo2phenethyl123677ahexahydro3a6epoxyisoindole7carboxylate
1212468013
17575730
benzyl(1S5R7R)4oxo3(2phenylethyl)10oxa3azatricyclo(521015)dec8ene6carboxylate
benzyl(3aS6R7aR)1oxo2(2phenylethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC24H23NO4c26222120(23(27)28151895261018)19111324(212919)1625(22)1412177314817h111131921H121416H2t1920?21+24m1s1
MFCD04197923
O=C(C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1ccccc1)O2)OCc1ccccc1
ZINC000005278096
ZINC000005278098
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