Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL058389
SMILES COc1cc(NC(=O)C2C3C=CC4(C2C(=O)N(C4)c2ccc4c(c2)OCO4)O3)cc(c1OC)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 C25H24N2O8 MW 480.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O8/c1-30-18-8-13(9-19(31-2)22(18)32-3)26-23(28)20-16-6-7-25(35-16)11-27(24(29)21(20)25)14-4-5-15-17(10-14)34-12-33-15/h4-10,16,20-21H,11-12H2,1-3H3,(H,26,28)InChIKey
AQOFWDOOOSLKPH-UHFFFAOYSA-NSynonyms
(6R)2(benzo(d)(13)dioxol5yl)1oxoN(345trimethoxyphenyl)123677ahexahydro3a6epoxyisoindole7carboxamide
2(13benzodioxol5yl)1oxoN(345trimethoxyphenyl)123677ahexahydro3a6epoxyisoindole7carboxamide
COC1=CC(=CC(=C1OC)OC)NC(=O)C2C3C=CC4(C2C(=O)N(C4)C5=CC6=C(C=C5)OCO6)O3
COc1cc(NC(=O)(C@H)2(C@@H)3C=C(C@@)4((C@@H)2C(=O)N(C4)c2ccc4c(c2)OCO4)O3)cc(c1OC)OC
InChI=1SC25H24N2O8c13018813(919(312)22(18)323)2623(28)20166725(3516)1127(24(29)21(20)25)14451517(1014)34123315h410162021H1112H213H3(H2628)
MFCD08292255
ZINC000103079649
ZINC000227251275
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