Vitas-M small molecule compound

propan-2-yl (3aS,6R,7aR)-2-(naphthalen-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STL539017
SMILES CC(OC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1cccc3c1cccc3)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 C22H21NO4 MW 363.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4/c1-13(2)26-21(25)18-17-10-11-22(27-17)12-23(20(24)19(18)22)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,13,17-19H,12H2,1-2H3/t17-,18?,19+,22-/m1/s1
InChIKey
CWNLSIGOQJQSML-XFCGAFINSA-N
Synonyms
956946-63-7
(3aS6R7aR)isopropyl2(naphthalen1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398380
956946637
CC(OC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1cccc3c1cccc3)O2)C
InChI=1SC22H21NO4c113(2)2621(25)1817101122(2717)1223(20(24)19(18)22)1695714634815(14)16h311131719H12H212H3t1718?19+22m1s1
MFCD03661922
propan2yl(1~(S)5~(R)7~(R))3naphthalen1yl4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
propan2yl(3aS6R7aR)2(naphthalen1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000000803197
ZINC000002091418

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Available files

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