Vitas-M small molecule compound
(3aS,6R)-2-(1,3-benzodioxol-5-yl)-1-oxo-N-(pyridin-4-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL553338
SMILES O=C(C1[C@@H]2C=CC3(C1C(=O)N(C3)c1ccc3c(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 C22H19N3O5 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5/c26-20(24-10-13-4-7-23-8-5-13)18-16-3-6-22(30-16)11-25(21(27)19(18)22)14-1-2-15-17(9-14)29-12-28-15/h1-9,16,18-19H,10-12H2,(H,24,26)/t16-,18?,19?,22?/m1/s1InChIKey
BNABLMYXUHGLDW-YEOOSLBDSA-NSynonyms
(3aS6R)2(13benzodioxol5yl)1oxoN(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
(6R)2(benzo(d)(13)dioxol5yl)1oxoN(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
(7~(R))3(13benzodioxol5yl)4oxo~(N)(pyridin4ylmethyl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
16408748
InChI=1SC22H19N3O5c2620(24101347238513)18163622(3016)1125(21(27)19(18)22)14121517(914)29122815h19161819H1012H2(H2426)t1618?19?22?m1s1
O=C((C@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)NCc1ccncc1
ZINC000136154886
ZINC000217524884
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