Vitas-M small molecule compound
2-[1-(4-bromophenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK384216
SMILES CC(N1CC23C(C1=O)C(C(O3)C=C2)C(=O)O)c1ccc(cc1)Br
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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 C17H16BrNO4 MW 378.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrNO4/c1-9(10-2-4-11(18)5-3-10)19-8-17-7-6-12(23-17)13(16(21)22)14(17)15(19)20/h2-7,9,12-14H,8H2,1H3,(H,21,22)InChIKey
GOQWWHKSTWYHTI-UHFFFAOYSA-NSynonyms
(3aS6R7aR)2(1(4bromophenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
2(1(4bromophenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC(C1=CC=C(C=C1)Br)N2CC34C=CC(O3)C(C4C2=O)C(=O)O
CC(N1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)O)c1ccc(cc1)Br
InChI=1SC17H16BrNO4c19(102411(18)5310)198177612(2317)13(16(21)22)14(17)15(19)20h2791214H8H21H3(H2122)
MFCD03849282
ZINC000004200216
ZINC000169304180
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