Vitas-M small molecule compound

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

Catalog ID
STL536839
SMILES COc1ccccc1CNC(=O)C1[C@H]2C=C[C@]3([C@@]1(C)C(=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 C26H26N2O6 MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6/c1-25-22(23(29)27-12-17-5-3-4-6-18(17)31-2)20-9-10-26(25,34-20)14-28(24(25)30)13-16-7-8-19-21(11-16)33-15-32-19/h3-11,20,22H,12-15H2,1-2H3,(H,27,29)/t20-,22?,25+,26-/m0/s1
InChIKey
GXTNLTSNZKIODT-DSUSRFKMSA-N
Synonyms

(1~(R)5~(S)7~(S))3(13benzodioxol5ylmethyl)~(N)((2methoxyphenyl)methyl)5methyl4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S)2(benzo(d)(13)dioxol5ylmethyl)N(2methoxybenzyl)7amethyl1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aR6S7aS)2(13benzodioxol5ylmethyl)N(2methoxybenzyl)7amethyl1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639472
COc1ccccc1CNC(=O)(C@@H)1(C@@H)2C=C(C@)3((C@)1(C)C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2
InChI=1SC26H26N2O6c12522(23(29)271217534618(17)312)2091026(253420)1428(24(25)30)1316781921(1116)33153219h3112022H1215H212H3(H2729)t2022?25+26m0s1
ZINC000008764626
ZINC000008764627

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Available files

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