Vitas-M small molecule compound

(3aR,6S,7aS)-2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-N-(pyridin-3-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Catalog ID
STL535180
SMILES O=C(C1[C@H]2C=C[C@]3([C@H]1C(=O)N(C3)Cc1ccc3c(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 C23H21N3O5 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5/c27-21(25-10-15-2-1-7-24-9-15)19-17-5-6-23(31-17)12-26(22(28)20(19)23)11-14-3-4-16-18(8-14)30-13-29-16/h1-9,17,19-20H,10-13H2,(H,25,27)/t17-,19?,20+,23-/m0/s1
InChIKey
KPXAOELHTHDUFL-VZBNOLDNSA-N
Synonyms

(1~(R)5~(S)7~(S))3(13benzodioxol5ylmethyl)4oxo~(N)(pyridin3ylmethyl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S)2(benzo(d)(13)dioxol5ylmethyl)1oxoN(pyridin3ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
(3aR6S7aS)2(13benzodioxol5ylmethyl)1oxoN(pyridin3ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
135639443
InChI=1SC23H21N3O5c2721(25101521724915)19175623(3117)1226(22(28)20(19)23)1114341618(814)30132916h19171920H1013H2(H2527)t1719?20+23m0s1
MFCD09798274
O=C((C@H)1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2)NCc1cccnc1
ZINC000008792453
ZINC000008792455

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Available files

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