Vitas-M small molecule compound
2-oxo-2-phenylethyl 2-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-4-(methylsulfanyl)butanoate
Catalog ID
STK269233
SMILES CSCCC(N1C(=O)C2C(C1=O)C1CC2C(C1Br)Br)C(=O)OCC(=O)c1ccccc1
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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 C22H23Br2NO5S MW 573.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Br2NO5S/c1-31-8-7-14(22(29)30-10-15(26)11-5-3-2-4-6-11)25-20(27)16-12-9-13(17(16)21(25)28)19(24)18(12)23/h2-6,12-14,16-19H,7-10H2,1H3InChIKey
IBJXLVDWIALGNG-UHFFFAOYSA-NSynonyms
2OXO2PHENYLETHYL(2S)2((3AR4R5S6R7S7AS)56DIBROMO13DIOXOOCTAHYDRO2H47METHANOISOINDOL2YL)4(METHYLSULFANYL)BUTANOATE
2oxo2phenylethyl2((3aR4R7S7aS)56dibromo13dioxohexahydro1H47methanoisoindol2(3H)yl)4(methylthio)butanoate
2oxo2phenylethyl2(56dibromo13dioxooctahydro2H47methanoisoindol2yl)4(methylsulfanyl)butanoate
CSCCC(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
CSCCC(N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1C(C@H)2C(C1Br)Br)C(=O)OCC(=O)c1ccccc1
InChI=1SC22H23Br2NO5Sc1318714(22(29)301015(26)115324611)2520(27)1612913(17(16)21(25)28)19(24)18(12)23h2612141619H710H21H3
MFCD02028438
ZINC000239105228
ZINC000239105231
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