Vitas-M small molecule compound
ethyl (3aS,6R,7aR)-1-oxo-2-phenyl-3-(prop-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL526196
SMILES C=CCC1N(c2ccccc2)C(=O)[C@H]2[C@]31C=C[C@H](O3)C2C(=O)OCC
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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 C20H21NO4 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4/c1-3-8-15-20-12-11-14(25-20)16(19(23)24-4-2)17(20)18(22)21(15)13-9-6-5-7-10-13/h3,5-7,9-12,14-17H,1,4,8H2,2H3/t14-,15?,16?,17+,20-/m1/s1InChIKey
SWEOKISNCSPDIY-RKROSOFCSA-NSynonyms
1212484-35-9(3aS6R7aR)ethyl3allyl1oxo2phenyl123677ahexahydro3a6epoxyisoindole7carboxylate
1212484359
16397311
C=CCC1N(c2ccccc2)C(=O)(C@H)2(C@)31C=C(C@@H)(O3)C2C(=O)OCC
ethyl(1~(S)5~(R)7~(R))4oxo3phenyl2prop2enyl10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
ethyl(3aS6R7aR)1oxo2phenyl3(prop2en1yl)123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC20H21NO4c1381520121114(2520)16(19(23)2442)17(20)18(22)21(15)1396571013h3579121417H148H22H3t1415?16?17+20m1s1
MFCD02925854
ZINC000000355911
ZINC000000485851
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