Vitas-M small molecule compound
propyl (3aS,6R,7aR)-2-(naphthalen-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL542467
SMILES CCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1cccc3c1cccc3)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 C22H21NO4 MW 363.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4/c1-2-12-26-21(25)18-17-10-11-22(27-17)13-23(20(24)19(18)22)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,17-19H,2,12-13H2,1H3/t17-,18?,19+,22-/m1/s1InChIKey
QDNDOLSXLFKKNP-XFCGAFINSA-NSynonyms
956991-29-0(3aS6R7aR)propyl2(naphthalen1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398445
956991290
CCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1cccc3c1cccc3)O2
InChI=1SC22H21NO4c12122621(25)1817101122(2717)1323(20(24)19(18)22)1695714634815(14)16h3111719H21213H21H3t1718?19+22m1s1
MFCD03662228
propyl(1~(S)5~(R)7~(R))3naphthalen1yl4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
propyl(3aS6R7aR)2(naphthalen1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000002146027
ZINC000002146030
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