Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-N-(3-fluorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL058416
SMILES O=C(C1C2C=CC3(C1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)Nc1cccc(c1)F
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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 C22H17FN2O5 MW 408.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN2O5/c23-12-2-1-3-13(8-12)24-20(26)18-16-6-7-22(30-16)10-25(21(27)19(18)22)14-4-5-15-17(9-14)29-11-28-15/h1-9,16,18-19H,10-11H2,(H,24,26)InChIKey
WZFTUHXVMMWYQJ-UHFFFAOYSA-NSynonyms
(3aS6R)2(benzo(d)(13)dioxol5yl)N(3fluorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
2(13benzodioxol5yl)N(3fluorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
C1C23C=CC(O2)C(C3C(=O)N1C4=CC5=C(C=C4)OCO5)C(=O)NC6=CC(=CC=C6)F
InChI=1SC22H17FN2O5c231221313(812)2420(26)18166722(3016)1025(21(27)19(18)22)14451517(914)29112815h19161819H1011H2(H2426)
MFCD08749305
O=C((C@H)1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)Nc1cccc(c1)F
ZINC000103671656
ZINC000227250722
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