Vitas-M small molecule compound
methyl 4-{[2-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoyl]amino}benzoate
Catalog ID
STK274727
SMILES COC(=O)c1ccc(cc1)NC(=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 C20H20Br2N2O5 MW 528.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20Br2N2O5/c1-8(17(25)23-10-5-3-9(4-6-10)20(28)29-2)24-18(26)13-11-7-12(14(13)19(24)27)16(22)15(11)21/h3-6,8,11-16H,7H2,1-2H3,(H,23,25)InChIKey
YOAHMGOTCOOKFH-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
InChI=1SC20H20Br2N2O5c18(17(25)2310539(4610)20(28)292)2418(26)1311712(14(13)19(24)27)16(22)15(11)21h3681116H7H212H3(H2325)
methyl4((2(56dibromo13dioxooctahydro2H47methanoisoindol2yl)propanoyl)amino)benzoate
MFCD03163175
ZINC000239254635
ZINC000239254638
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