Vitas-M small molecule compound

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

Catalog ID
STL003001
SMILES CCCCOC(=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 C17H25NO5 MW 323.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25NO5/c1-3-4-10-22-16(20)13-12-6-7-17(23-12)11-18(8-5-9-21-2)15(19)14(13)17/h6-7,12-14H,3-5,8-11H2,1-2H3/t12-,13?,14+,17-/m1/s1
InChIKey
PLKDAZVAABCOJG-XWEZZZMOSA-N
Synonyms
1164477-98-8
(3aS6R7aR)butyl2(3methoxypropyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1164477988
butyl(3aS6R7aR)2(3methoxypropyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCCOC)O2
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCCOC)O2
CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CCCOC)O2
InChI=1SC17H25NO5c134102216(20)13126717(2312)1118(859212)15(19)14(13)17h671214H35811H212H3t1213?1417+m0s1
MFCD04183107
ZINC000002368335
ZINC000002368337

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Available files

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