Vitas-M small molecule compound

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

Catalog ID
STK384235
SMILES O=C(C1C2C=CC3(C1C(=O)N(C3)c1ccc(c(c1)F)Cl)O2)OCc1ccccc1

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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 C22H17ClFNO4 MW 413.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClFNO4/c23-15-7-6-14(10-16(15)24)25-12-22-9-8-17(29-22)18(19(22)20(25)26)21(27)28-11-13-4-2-1-3-5-13/h1-10,17-19H,11-12H2
InChIKey
HOBQGCIXASHARF-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)benzyl2(4chloro3fluorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
benzyl2(4chloro3fluorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
C1C23C=CC(O2)C(C3C(=O)N1C4=CC(=C(C=C4)Cl)F)C(=O)OCC5=CC=CC=C5
InChI=1SC22H17ClFNO4c23157614(1016(15)24)2512229817(2922)18(19(22)20(25)26)21(27)2811134213513h1101719H1112H2
MFCD04041495
O=C(C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(c(c1)F)Cl)O2)OCc1ccccc1
ZINC000226889232
ZINC000239090987

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Available files

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