Vitas-M small molecule compound

propan-2-yl 2-(3-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384152
SMILES CC(OC(=O)C1C2C=CC3(C1C(=O)N(C3)c1cccc(c1)C)O2)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 C19H21NO4 MW 327.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO4/c1-11(2)23-18(22)15-14-7-8-19(24-14)10-20(17(21)16(15)19)13-6-4-5-12(3)9-13/h4-9,11,14-16H,10H2,1-3H3
InChIKey
UZOURSQWICZERQ-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)isopropyl1oxo2(mtolyl)123677ahexahydro3a6epoxyisoindole7carboxylate
CC(OC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1cccc(c1)C)O2)C
CC1=CC(=CC=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)OC(C)C
InChI=1SC19H21NO4c111(2)2318(22)15147819(2414)1020(17(21)16(15)19)1364512(3)913h49111416H10H213H3
MFCD03849260
propan2yl2(3methylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000004555080
ZINC000016009685

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.