Vitas-M small molecule compound
ethyl 4-bromo-2,6-bis(2-ethoxyphenyl)-8,10-dimethyl-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate
Catalog ID
STK062868
SMILES CCOC(=O)C1=C(C)C2(Br)C3C(C1(C)C1C2C(=O)N(C1=O)c1ccccc1OCC)C(=O)N(C3=O)c1ccccc1OCC
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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 C33H33BrN2O8 MW 665.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33BrN2O8/c1-6-42-20-15-11-9-13-18(20)35-27(37)23-25(29(35)39)33(34)17(4)22(31(41)44-8-3)32(23,5)24-26(33)30(40)36(28(24)38)19-14-10-12-16-21(19)43-7-2/h9-16,23-26H,6-8H2,1-5H3InChIKey
XPFNUTDLPSLOHN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)C2(Br)C3C(C1(C)C1C2C(=O)N(C1=O)c1ccccc1OCC)C(=O)N(C3=O)c1ccccc1OCC
CCOC1=CC=CC=C1N2C(=O)C3C(C2=O)C4(C5C(C3(C(=C4C)C(=O)OCC)C)C(=O)N(C5=O)C6=CC=CC=C6OCC)Br
ethyl4bromo26bis(2ethoxyphenyl)810dimethyl1357tetraoxododecahydro48ethenopyrrolo(34f)isoindole9carboxylate
InChI=1SC33H33BrN2O8c164220151191318(20)3527(37)2325(29(35)39)33(34)17(4)22(31(41)4483)32(235)2426(33)30(40)36(28(24)38)191410121621(19)4372h9162326H68H215H3
MFCD00318402
STK062868
ZINC000239433380
ZINC000239433383
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