Vitas-M small molecule compound
2-{[(E)-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxyphenyl}methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK280966
SMILES CCOc1cc(/C=N/N2C(=O)C3C(C2=O)C2CCC3C=C2)cc(c1OCc1ccc(cc1)Cl)Br
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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 C26H24BrClN2O4 MW 543.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrClN2O4/c1-2-33-21-12-16(11-20(27)24(21)34-14-15-3-9-19(28)10-4-15)13-29-30-25(31)22-17-5-6-18(8-7-17)23(22)26(30)32/h3-6,9-13,17-18,22-23H,2,7-8,14H2,1H3/b29-13+InChIKey
DRVSOYYYYIZJTG-VFLNYLIXSA-NSynonyms
2(((E)(3bromo4((4chlorobenzyl)oxy)5ethoxyphenyl)methylidene)amino)3a477atetrahydro1H47ethanoisoindole13(2H)dione
CCOC1=C(C(=CC(=C1)C=NN2C(=O)C3C4CCC(C3C2=O)C=C4)Br)OCC5=CC=C(C=C5)Cl
CCOc1cc(C=NN2C(=O)C3C(C2=O)C2CCC3C=C2)cc(c1OCc1ccc(cc1)Cl)Br
InChI=1SC26H24BrClN2O4c1233211216(1120(27)24(21)3414153919(28)10415)13293025(31)22175618(8717)23(22)26(30)32h3691317182223H27814H21H3b2913+
MFCD02065870
ZINC000100182554
ZINC000107903205
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