Vitas-M small molecule compound

methyl 2-(4-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384199
SMILES COC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(cc1)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 C16H14ClNO4 MW 319.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClNO4/c1-21-15(20)12-11-6-7-16(22-11)8-18(14(19)13(12)16)10-4-2-9(17)3-5-10/h2-7,11-13H,8H2,1H3
InChIKey
IARBWFOJICOXTA-UHFFFAOYSA-N
Synonyms
1005062-71-4
1005062714
COC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=C(C=C4)Cl)O2
InChI=1SC16H14ClNO4c12115(20)12116716(2211)818(14(19)13(12)16)10429(17)3510h271113H8H21H3
methyl2(4chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
MFCD03680084
ZINC000100833717
ZINC000239310077

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Available files

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