Vitas-M small molecule compound
2-(4-methoxyphenyl)-1-oxo-N-(3-phenylpropyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL240374
SMILES COc1ccc(cc1)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)NCCCc1ccccc1
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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 C25H26N2O4 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4/c1-30-19-11-9-18(10-12-19)27-16-25-14-13-20(31-25)21(22(25)24(27)29)23(28)26-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-14,20-22H,5,8,15-16H2,1H3,(H,26,28)InChIKey
WXGYNYCQOCDAQB-UHFFFAOYSA-NSynonyms
(6R7aR)2(4methoxyphenyl)1oxoN(3phenylpropyl)123677ahexahydro3a6epoxyisoindole7carboxamide
2(4methoxyphenyl)1oxoN(3phenylpropyl)123677ahexahydro3a6epoxyisoindole7carboxamide
COC1=CC=C(C=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)NCCCC5=CC=CC=C5
COc1ccc(cc1)N1C(C@)23(C@H)(C1=O)(C@@H)((C@@H)(O3)C=C2)C(=O)NCCCc1ccccc1
InChI=1SC25H26N2O4c1301911918(101219)271625141320(3125)21(22(25)24(27)29)23(28)261558176324717h24679142022H581516H21H3(H2628)
MFCD08744540
ZINC000015905494
ZINC000085420819
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