Vitas-M small molecule compound
(3aS,6R)-2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-N-(pyridin-4-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535406
SMILES O=C(C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2)NCc1ccncc1
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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 C23H21N3O5 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5/c27-21(25-10-14-4-7-24-8-5-14)19-17-3-6-23(31-17)12-26(22(28)20(19)23)11-15-1-2-16-18(9-15)30-13-29-16/h1-9,17,19-20H,10-13H2,(H,25,27)/t17-,19?,20?,23-/m1/s1InChIKey
LFSPHPDMMBRISK-AGTGTDPFSA-NSynonyms
(1~(S)7~(R))3(13benzodioxol5ylmethyl)4oxo~(N)(pyridin4ylmethyl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)2(13benzodioxol5ylmethyl)1oxoN(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R)2(benzo(d)(13)dioxol5ylmethyl)1oxoN(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
132934843
InChI=1SC23H21N3O5c2721(25101447248514)19173623(3117)1226(22(28)20(19)23)1115121618(915)30132916h19171920H1013H2(H2527)t1719?20?23m1s1
MFCD09790067
O=C((C@@H)1(C@@H)2C=C(C@)3((C@@H)1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2)NCc1ccncc1
ZINC000015894225
ZINC000015894228
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