Vitas-M small molecule compound
ethyl 1-{[2-(1,3-benzodioxol-5-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindol-7-yl]carbonyl}piperidine-4-carboxylate
Catalog ID
STL350218
SMILES CCOC(=O)C1CCN(CC1)C(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc3c(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 C24H26N2O7 MW 454.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O7/c1-2-30-23(29)14-6-9-25(10-7-14)21(27)19-17-5-8-24(33-17)12-26(22(28)20(19)24)15-3-4-16-18(11-15)32-13-31-16/h3-5,8,11,14,17,19-20H,2,6-7,9-10,12-13H2,1H3InChIKey
WLTWHPDJANMQMI-UHFFFAOYSA-NSynonyms
CCOC(=O)(C@@H)1CCN(CC1)C(=O)(C@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc3c(c1)OCO3)O2
CCOC(=O)C1CCN(CC1)C(=O)C2C3C=CC4(C2C(=O)N(C4)C5=CC6=C(C=C5)OCO6)O3
ethyl1((2(13benzodioxol5yl)1oxo123677ahexahydro3a6epoxyisoindol7yl)carbonyl)piperidine4carboxylate
ethyl1((6R)2(benzo(d)(13)dioxol5yl)1oxo123677ahexahydro3a6epoxyisoindole7carbonyl)piperidine4carboxylate
InChI=1SC24H26N2O7c123023(29)146925(10714)21(27)19175824(3317)1226(22(28)20(19)24)15341618(1115)32133116h3581114171920H2679101213H21H3
MFCD08749172
ZINC000103024504
ZINC000226871428
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