Vitas-M small molecule compound
2-(4-methylphenyl)-3-(2-methylprop-2-en-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK893567
SMILES CC(=C)CC1N(C(=O)C2C31C=CC(O3)C2C(=O)O)c1ccc(cc1)C
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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 C20H21NO4 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4/c1-11(2)10-15-20-9-8-14(25-20)16(19(23)24)17(20)18(22)21(15)13-6-4-12(3)5-7-13/h4-9,14-17H,1,10H2,2-3H3,(H,23,24)InChIKey
LCWYHMXNOPUHCS-UHFFFAOYSA-NSynonyms
(3aS6R7aR)3(2methylallyl)1oxo2(ptolyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
2(4methylphenyl)3(2methylprop2en1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC(=C)CC1N(C(=O)(C@H)2(C@)31C=C(C@@H)(O3)C2C(=O)O)c1ccc(cc1)C
CC1=CC=C(C=C1)N2C(C34C=CC(O3)C(C4C2=O)C(=O)O)CC(=C)C
InChI=1SC20H21NO4c111(2)1015209814(2520)16(19(23)24)17(20)18(22)21(15)136412(3)5713h491417H110H223H3(H2324)
MFCD07369069
ZINC000004237647
ZINC000239338736
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