Vitas-M small molecule compound
2-(3-methoxyphenyl)-2-oxoethyl 2-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate
Catalog ID
STK274694
SMILES COc1cccc(c1)C(=O)COC(=O)C(N1C(=O)C2C(C1=O)C1CC2C(C1Br)Br)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 C21H21Br2NO6 MW 543.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Br2NO6/c1-9(21(28)30-8-14(25)10-4-3-5-11(6-10)29-2)24-19(26)15-12-7-13(16(15)20(24)27)18(23)17(12)22/h3-6,9,12-13,15-18H,7-8H2,1-2H3InChIKey
LKXBETPEAKBTSM-UHFFFAOYSA-NSynonyms
2(3methoxyphenyl)2oxoethyl2(56dibromo13dioxooctahydro2H47methanoisoindol2yl)propanoate
CC(C(=O)OCC(=O)C1=CC(=CC=C1)OC)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
InChI=1SC21H21Br2NO6c19(21(28)30814(25)1043511(610)292)2419(26)1512713(16(15)20(24)27)18(23)17(12)22h36912131518H78H212H3
MFCD03070643
ZINC000239338929
ZINC000239338932
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