Vitas-M small molecule compound

(3aS,6R,7aR)-2-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide

Catalog ID
STL535218
SMILES COc1cc(ccc1OC)NC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2

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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 C25H24N2O7 MW 464.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O7/c1-30-16-6-4-15(10-19(16)31-2)26-23(28)21-18-7-8-25(34-18)12-27(24(29)22(21)25)11-14-3-5-17-20(9-14)33-13-32-17/h3-10,18,21-22H,11-13H2,1-2H3,(H,26,28)/t18-,21?,22+,25-/m1/s1
InChIKey
IRKPLGQHGBYIDY-NAMPXICBSA-N
Synonyms

(1~(S)5~(R)7~(R))3(13benzodioxol5ylmethyl)~(N)(34dimethoxyphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)2(benzo(d)(13)dioxol5ylmethyl)N(34dimethoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R7aR)2(13benzodioxol5ylmethyl)N(34dimethoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
56951765
COc1cc(ccc1OC)NC(=O)(C@@H)1(C@H)2C=C(C@@)3((C@H)1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2
InChI=1SC25H24N2O7c130166415(1019(16)312)2623(28)21187825(3418)1227(24(29)22(21)25)1114351720(914)33133217h310182122H1113H212H3(H2628)t1821?22+25m1s1
MFCD09793092
ZINC000012894100
ZINC000012894107

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Available files

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