Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-1-oxo-N-(pyridin-3-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL058428
SMILES O=C(C1C2C=CC3(C1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)NCc1cccnc1
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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 C22H19N3O5 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5/c26-20(24-10-13-2-1-7-23-9-13)18-16-5-6-22(30-16)11-25(21(27)19(18)22)14-3-4-15-17(8-14)29-12-28-15/h1-9,16,18-19H,10-12H2,(H,24,26)InChIKey
RHMRQORKHHXYNZ-UHFFFAOYSA-NSynonyms
(3aS6R)2(benzo(d)(13)dioxol5yl)1oxoN(pyridin3ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
2(13benzodioxol5yl)1oxoN(pyridin3ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
C1C23C=CC(O2)C(C3C(=O)N1C4=CC5=C(C=C4)OCO5)C(=O)NCC6=CN=CC=C6
InChI=1SC22H19N3O5c2620(24101321723913)18165622(3016)1125(21(27)19(18)22)14341517(814)29122815h19161819H1012H2(H2426)
MFCD08290178
O=C((C@@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)NCc1cccnc1
ZINC000105427920
ZINC000227249001
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