Vitas-M small molecule compound
ethyl (2Z)-2-cyano-3-[4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]-3-hydroxyprop-2-enoate
Catalog ID
STK332490
SMILES CCOC(=O)/C(=C(/c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C(C1Br)Br)\O)/C#N
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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 C21H18Br2N2O5 MW 538.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Br2N2O5/c1-2-30-21(29)13(8-24)18(26)9-3-5-10(6-4-9)25-19(27)14-11-7-12(15(14)20(25)28)17(23)16(11)22/h3-6,11-12,14-17,26H,2,7H2,1H3/b18-13-InChIKey
RXFIZNCDBFGLRW-AQTBWJFISA-NSynonyms
CCOC(=O)C(=C(C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br)O)C#N
CCOC(=O)C(=C(c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C(C1Br)Br)O)C#N
ethyl(2Z)2cyano3(4(56dibromo13dioxooctahydro2H47methanoisoindol2yl)phenyl)3hydroxyprop2enoate
InChI=1SC21H18Br2N2O5c123021(29)13(824)18(26)93510(649)2519(27)1411712(15(14)20(25)28)17(23)16(11)22h361112141726H27H21H3b1813
MFCD09962742
ZINC000245328128
ZINC000245328131
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