Vitas-M small molecule compound
2-methylpropyl (3aS,6R)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL564952
SMILES CC(COC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccc(cc1)C)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 C20H23NO4 MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4/c1-12(2)10-24-19(23)16-15-8-9-20(25-15)11-21(18(22)17(16)20)14-6-4-13(3)5-7-14/h4-9,12,15-17H,10-11H2,1-3H3/t15-,16?,17?,20-/m1/s1InChIKey
QNNALCYTHRGLNR-FLAIETJXSA-NSynonyms
956973-37-8(3aS6R)isobutyl1oxo2(ptolyl)123677ahexahydro3a6epoxyisoindole7carboxylate
16398047
2methylpropyl(1S7R)3(4methylphenyl)4oxo10oxa3azatricyclo(521015)dec8ene6carboxylate
2methylpropyl(3aS6R)2(4methylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
956973378
CC(COC(=O)C1(C@H)2C=C(C@@)3(C1C(=O)N(C3)c1ccc(cc1)C)O2)C
InChI=1SC20H23NO4c112(2)102419(23)16158920(2515)1121(18(22)17(16)20)146413(3)5714h49121517H1011H213H3t1516?17?20m1s1
MFCD03660221
ZINC000001321919
ZINC000004041680
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