Vitas-M small molecule compound
2-(1,3-benzodioxol-5-ylmethyl)-N-(4-methoxybenzyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL058525
SMILES COc1ccc(cc1)CNC(=O)C1C2C=CC3(C1C(=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 C25H24N2O6 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O6/c1-30-17-5-2-15(3-6-17)11-26-23(28)21-19-8-9-25(33-19)13-27(24(29)22(21)25)12-16-4-7-18-20(10-16)32-14-31-18/h2-10,19,21-22H,11-14H2,1H3,(H,26,28)InChIKey
PDNWLAIFJBGZSB-UHFFFAOYSA-NSynonyms
(6R)2(benzo(d)(13)dioxol5ylmethyl)N(4methoxybenzyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
2(13benzodioxol5ylmethyl)N(4methoxybenzyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
COC1=CC=C(C=C1)CNC(=O)C2C3C=CC4(C2C(=O)N(C4)CC5=CC6=C(C=C5)OCO6)O3
COc1ccc(cc1)CNC(=O)(C@H)1(C@@H)2C=C(C@)3((C@@H)1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2
InChI=1SC25H24N2O6c130175215(3617)112623(28)21198925(3319)1327(24(29)22(21)25)1216471820(1016)32143118h210192122H1114H21H3(H2628)
MFCD08290400
ZINC000103461207
ZINC000227251206
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