Vitas-M small molecule compound
2-(3-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
STK384271
SMILES CC(=C)CC1N(c2cccc(c2)C)C(=O)C2C31C=CC(O3)C2C(=O)O
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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)9-15-20-8-7-14(25-20)16(19(23)24)17(20)18(22)21(15)13-6-4-5-12(3)10-13/h4-8,10,14-17H,1,9H2,2-3H3,(H,23,24)InChIKey
GJPFCLSDILVNOY-UHFFFAOYSA-NSynonyms
2(3methylphenyl)3(2methylprop2en1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC1=CC(=CC=C1)N2C(C34C=CC(O3)C(C4C2=O)C(=O)O)CC(=C)C
InChI=1SC20H21NO4c111(2)915208714(2520)16(19(23)24)17(20)18(22)21(15)1364512(3)1013h48101417H19H223H3(H2324)
MFCD07369074
ZINC000004237653
ZINC000239306080
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