Vitas-M small molecule compound

butyl 2-(4-chloro-3-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384667
SMILES CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(c(c1)C)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 C20H22ClNO4 MW 375.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClNO4/c1-3-4-9-25-19(24)16-15-7-8-20(26-15)11-22(18(23)17(16)20)13-5-6-14(21)12(2)10-13/h5-8,10,15-17H,3-4,9,11H2,1-2H3
InChIKey
NIVQGZJBKALZOQ-UHFFFAOYSA-N
Synonyms

butyl2(4chloro3methylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC(=C(C=C4)Cl)C)O2
InChI=1SC20H22ClNO4c13492519(24)16157820(2615)1122(18(23)17(16)20)135614(21)12(2)1013h58101517H34911H212H3
MFCD11853262
ZINC000226888645
ZINC000239165033

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Available files

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