Vitas-M small molecule compound

2-(3-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Catalog ID
STK384081
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)c1cccc(c1)Cl)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 C15H12ClNO4 MW 305.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClNO4/c16-8-2-1-3-9(6-8)17-7-15-5-4-10(21-15)11(14(19)20)12(15)13(17)18/h1-6,10-12H,7H2,(H,19,20)
InChIKey
FYMDPHPYLXMCGD-UHFFFAOYSA-N
Synonyms
1402605-80-4
(3aS6R)2(3chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1402605804
2(3chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
C1C23C=CC(O2)C(C3C(=O)N1C4=CC(=CC=C4)Cl)C(=O)O
InChI=1SC15H12ClNO4c1682139(68)177155410(2115)11(14(19)20)12(15)13(17)18h161012H7H2(H1920)
MFCD03827987
OC(=O)C1(C@H)2C=C(C@@)3(C1C(=O)N(C3)c1cccc(c1)Cl)O2
ZINC000100634578
ZINC000141844478

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Available files

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