Vitas-M small molecule compound
ethyl (3aS,6R,7aR)-2-(4-bromophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL536815
SMILES CCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1ccc(cc1)Br)O2
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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/c1-2-22-16(21)13-12-7-8-17(23-12)9-19(15(20)14(13)17)11-5-3-10(18)4-6-11/h3-8,12-14H,2,9H2,1H3/t12-,13?,14+,17-/m1/s1InChIKey
UZCDCFJLCWGSQV-XWEZZZMOSA-NSynonyms
956965-02-9(3aS6R7aR)ethyl2(4bromophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398433
956965029
CCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)Br)O2
ethyl(1~(S)5~(R)7~(R))3(4bromophenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
ethyl(3aS6R7aR)2(4bromophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC17H16BrNO4c122216(21)13127817(2312)919(15(20)14(13)17)115310(18)4611h381214H29H21H3t1213?14+17m1s1
MFCD03662150
ZINC000002145893
ZINC000002145895
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