Vitas-M small molecule compound

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

Catalog ID
STK384233
SMILES CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(c(c1)F)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 C19H19ClFNO4 MW 379.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClFNO4/c1-2-3-8-25-18(24)15-14-6-7-19(26-14)10-22(17(23)16(15)19)11-4-5-12(20)13(21)9-11/h4-7,9,14-16H,2-3,8,10H2,1H3
InChIKey
IBEVPISXJOLYGF-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)butyl2(4chloro3fluorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
butyl2(4chloro3fluorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(c(c1)F)Cl)O2
CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC(=C(C=C4)Cl)F)O2
InChI=1SC19H19ClFNO4c12382518(24)15146719(2614)1022(17(23)16(15)19)114512(20)13(21)911h4791416H23810H21H3
MFCD04041493
ZINC000226889193
ZINC000239105220

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Available files

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