Vitas-M small molecule compound
phenyl 2,6-bis(2-bromo-4-methylphenyl)-8,10-dimethyl-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate
Catalog ID
STK523957
SMILES Cc1ccc(c(c1)Br)N1C(=O)C2C(C1=O)C1(C)C(=C(C2C2C1C(=O)N(C2=O)c1ccc(cc1Br)C)C)C(=O)Oc1ccccc1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C35H28Br2N2O6 MW 732.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28Br2N2O6/c1-16-10-12-22(20(36)14-16)38-30(40)25-24-18(3)27(34(44)45-19-8-6-5-7-9-19)35(4,28(25)32(38)42)29-26(24)31(41)39(33(29)43)23-13-11-17(2)15-21(23)37/h5-15,24-26,28-29H,1-4H3InChIKey
HPPGCGAJUBDPRU-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)N2C(=O)C3C4C5C(C(=O)N(C5=O)C6=C(C=C(C=C6)C)Br)C(C3C2=O)(C(=C4C)C(=O)OC7=CC=CC=C7)C)Br
InChI=1SC35H28Br2N2O6c116101222(20(36)1416)3830(40)252418(3)27(34(44)45198657919)35(428(25)32(38)42)2926(24)31(41)39(33(29)43)23131117(2)1521(23)37h51524262829H14H3
MFCD00485998
phenyl26bis(2bromo4methylphenyl)810dimethyl1357tetraoxododecahydro48ethenopyrrolo(34f)isoindole9carboxylate
ZINC000095100823
ZINC000245238259
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