Vitas-M small molecule compound

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

Catalog ID
STK384234
SMILES CCCCCOC(=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 C20H21ClFNO4 MW 393.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClFNO4/c1-2-3-4-9-26-19(25)16-15-7-8-20(27-15)11-23(18(24)17(16)20)12-5-6-13(21)14(22)10-12/h5-8,10,15-17H,2-4,9,11H2,1H3
InChIKey
GHVYVICBHNPNTD-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)pentyl2(4chloro3fluorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(c(c1)F)Cl)O2
CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC(=C(C=C4)Cl)F)O2
InChI=1SC20H21ClFNO4c123492619(25)16157820(2715)1123(18(24)17(16)20)125613(21)14(22)1012h58101517H24911H21H3
MFCD04041494
pentyl2(4chloro3fluorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000226889214
ZINC000239306013

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Available files

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