Vitas-M small molecule compound

benzyl 2-[1-(4-bromophenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384222
SMILES O=C(C1C2C=CC3(C1C(=O)N(C3)C(c1ccc(cc1)Br)C)O2)OCc1ccccc1

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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 C24H22BrNO4 MW 468.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrNO4/c1-15(17-7-9-18(25)10-8-17)26-14-24-12-11-19(30-24)20(21(24)22(26)27)23(28)29-13-16-5-3-2-4-6-16/h2-12,15,19-21H,13-14H2,1H3
InChIKey
WKGYIJPAKTYYHC-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)benzyl2(1(4bromophenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
benzyl2(1(4bromophenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CC(C1=CC=C(C=C1)Br)N2CC34C=CC(O3)C(C4C2=O)C(=O)OCC5=CC=CC=C5
InChI=1SC24H22BrNO4c115(177918(25)10817)261424121119(3024)20(21(24)22(26)27)23(28)2913165324616h212151921H1314H21H3
MFCD04041485
O=C(C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)C(c1ccc(cc1)Br)C)O2)OCc1ccccc1
ZINC000008922380
ZINC000226889101

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Available files

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