Vitas-M small molecule compound

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

Catalog ID
STL006427
SMILES CCC(N1C[C@@]23[C@H](C1=O)C([C@@H](O3)C=C2)C(=O)OCc1ccccc1)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/c1-3-13(2)21-12-20-10-9-15(25-20)16(17(20)18(21)22)19(23)24-11-14-7-5-4-6-8-14/h4-10,13,15-17H,3,11-12H2,1-2H3/t13?,15-,16?,17+,20-/m1/s1
InChIKey
WBTXSYLBOXAEQH-GVORJVDJSA-N
Synonyms
1212458-46-2
(3aS6R7aR)benzyl2(secbutyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1212458462
benzyl(3aS6R7aR)2(butan2yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCC(N1C(C@@)23(C@H)(C1=O)C((C@@H)(O3)C=C2)C(=O)OCc1ccccc1)C
CCC(N1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OCc1ccccc1)C
MFCD04175026
ZINC000005215381
ZINC000005215385

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Available files

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