Vitas-M small molecule compound
2-methylpropyl (3aS,6R,7aR)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL562981
SMILES CC(COC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CCc1ccccc1)O2)C
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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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-14(2)12-25-20(24)17-16-8-10-21(26-16)13-22(19(23)18(17)21)11-9-15-6-4-3-5-7-15/h3-8,10,14,16-18H,9,11-13H2,1-2H3/t16-,17?,18+,21-/m1/s1InChIKey
ROEFHITVKXHEOH-PJNGNRRGSA-NSynonyms
956816-56-1(3aS6R7aR)isobutyl1oxo2phenethyl123677ahexahydro3a6epoxyisoindole7carboxylate
16399794
2methylpropyl(1S5R7R)4oxo3(2phenylethyl)10oxa3azatricyclo(521015)dec8ene6carboxylate
2methylpropyl(3aS6R7aR)1oxo2(2phenylethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
956816561
CC(COC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1ccccc1)O2)C
InChI=1SC21H25NO4c114(2)122520(24)171681021(2616)1322(19(23)18(17)21)119156435715h3810141618H91113H212H3t1617?18+21m1s1
MFCD04145719
ZINC000002104049
ZINC000002104051
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