Vitas-M small molecule compound
2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL058388
SMILES COc1cc(NC(=O)C2C3C=CC4(C2C(=O)N(C4)Cc2ccc4c(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 C26H26N2O8 MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O8/c1-31-19-9-15(10-20(32-2)23(19)33-3)27-24(29)21-17-6-7-26(36-17)12-28(25(30)22(21)26)11-14-4-5-16-18(8-14)35-13-34-16/h4-10,17,21-22H,11-13H2,1-3H3,(H,27,29)InChIKey
XACIRPTZHLKPIE-UHFFFAOYSA-NSynonyms
(6R)2(benzo(d)(13)dioxol5ylmethyl)1oxoN(345trimethoxyphenyl)123677ahexahydro3a6epoxyisoindole7carboxamide
2(13benzodioxol5ylmethyl)1oxoN(345trimethoxyphenyl)123677ahexahydro3a6epoxyisoindole7carboxamide
COC1=CC(=CC(=C1OC)OC)NC(=O)C2C3C=CC4(C2C(=O)N(C4)CC5=CC6=C(C=C5)OCO6)O3
COc1cc(NC(=O)(C@H)2(C@@H)3C=C(C@@)4((C@@H)2C(=O)N(C4)Cc2ccc4c(c2)OCO4)O3)cc(c1OC)OC
InChI=1SC26H26N2O8c13119915(1020(322)23(19)333)2724(29)21176726(3617)1228(25(30)22(21)26)1114451618(814)35133416h410172122H1113H213H3(H2729)
MFCD08293040
ZINC000103079835
ZINC000227251152
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