Vitas-M small molecule compound

1-oxo-2-(pyridin-4-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Catalog ID
STK777137
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)Cc1ccncc1)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 C15H14N2O4 MW 286.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O4/c18-13-12-11(14(19)20)10-1-4-15(12,21-10)8-17(13)7-9-2-5-16-6-3-9/h1-6,10-12H,7-8H2,(H,19,20)
InChIKey
UMRDXBPZTJBZPP-UHFFFAOYSA-N
Synonyms
1164454-61-8
(3aS6R7aR)1oxo2(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
1164454618
1oxo2(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
4OXO3(4PYRIDINYLMETHYL)10OXA3AZATRICYCLO(
4OXO3(4PYRIDYLMETHYL)10OXA3AZATRICYCLO(
4OXO3PYRIDIN4YLMETHYL10OXA3AZATRICYCLO(
4OXO3PYRIDIN4YLMETHYL10OXA3AZATRICYCLO(5
C1C23C=CC(O2)C(C3C(=O)N1CC4=CC=NC=C4)C(=O)O
InChI=1SC15H14N2O4c18131211(14(19)20)101415(122110)817(13)792516639h161012H78H2(H1920)
MFCD06411479
OC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1ccncc1)O2
ZINC000100002137
ZINC000239415454

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Available files

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