Vitas-M small molecule compound

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

Catalog ID
STL564299
SMILES CCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CCCOC)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 C16H23NO5 MW 309.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23NO5/c1-3-8-21-15(19)12-11-5-6-16(22-11)10-17(7-4-9-20-2)14(18)13(12)16/h5-6,11-13H,3-4,7-10H2,1-2H3/t11-,12?,13+,16-/m1/s1
InChIKey
WOASBWCMPINWIO-HCYBMXRASA-N
Synonyms
1164469-98-0
(3aS6R7aR)propyl2(3methoxypropyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1164469980
5389722
CCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCCOC)O2
InChI=1SC16H23NO5c1382115(19)12115616(2211)1017(749202)14(18)13(12)16h561113H34710H212H3t1112?13+16m1s1
MFCD04158851
propyl(1S5R7R)3(3methoxypropyl)4oxo10oxa3azatricyclo(521015)dec8ene6carboxylate
propyl(3aS6R7aR)2(3methoxypropyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000004124760
ZINC000004124761

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Available files

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