Vitas-M small molecule compound
propyl (3aS,6R,7aR)-2-(2-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL527776
SMILES CCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1ccccc1OC)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 C19H21NO5 MW 343.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO5/c1-3-10-24-18(22)15-14-8-9-19(25-14)11-20(17(21)16(15)19)12-6-4-5-7-13(12)23-2/h4-9,14-16H,3,10-11H2,1-2H3/t14-,15?,16+,19-/m1/s1InChIKey
RKTXWYRYYFZZSC-QBKPQXPVSA-NSynonyms
956946-44-4(3aS6R7aR)propyl2(2methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398222
956946444
CCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccccc1OC)O2
InChI=1SC19H21NO5c13102418(22)15148919(2514)1120(17(21)16(15)19)12645713(12)232h491416H31011H212H3t1415?16+19m1s1
MFCD03661152
propyl(1~(S)5~(R)7~(R))3(2methoxyphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
propyl(3aS6R7aR)2(2methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000004042964
ZINC000004042965
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