Vitas-M small molecule compound

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

Catalog ID
STL005536
SMILES CCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C(CC)C)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 C16H23NO4 MW 293.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23NO4/c1-4-8-20-15(19)12-11-6-7-16(21-11)9-17(10(3)5-2)14(18)13(12)16/h6-7,10-13H,4-5,8-9H2,1-3H3/t10?,11-,12?,13+,16-/m1/s1
InChIKey
KTPGBONFTJRHGT-MIDZRKQRSA-N
Synonyms
1214624-16-4
(3aS6R7aR)propyl2(secbutyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1214624164
CCCOC(=O)C1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)C(CC)C)O2
CCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)C(CC)C)O2
MFCD04184009
propyl(3aS6R7aR)2(butan2yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000005164488
ZINC000005164494

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.