Vitas-M small molecule compound
(3aS,6R,7aR)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL537767
SMILES COc1ccc(cc1)N1C[C@@]23[C@H](C1=O)C([C@@H](O3)C=C2)C(=O)Nc1ccc(c(c1)OC)OC
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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 C24H24N2O6 MW 436.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O6/c1-29-16-7-5-15(6-8-16)26-13-24-11-10-18(32-24)20(21(24)23(26)28)22(27)25-14-4-9-17(30-2)19(12-14)31-3/h4-12,18,20-21H,13H2,1-3H3,(H,25,27)/t18-,20?,21+,24-/m1/s1InChIKey
NKGOUZCCDHHQKG-SHAXZFCKSA-NSynonyms
(1~(S)5~(R)7~(R))~(N)(34dimethoxyphenyl)3(4methoxyphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)N(34dimethoxyphenyl)2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R7aR)N(34dimethoxyphenyl)2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639499
COc1ccc(cc1)N1C(C@@)23(C@@H)(C1=O)(C@H)((C@H)(O3)C=C2)C(=O)Nc1ccc(c(c1)OC)OC
InChI=1SC24H24N2O6c129167515(6816)261324111018(3224)20(21(24)23(26)28)22(27)25144917(302)19(1214)313h412182021H13H213H3(H2527)t1820?21+24m1s1
ZINC000008879492
ZINC000008879493
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