Vitas-M small molecule compound
2-({3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxybenzylidene}amino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK264423
SMILES COc1cc(/C=N/N2C(=O)C3C(C2=O)C2C=CC3C3C2C3)cc(c1OCc1ccccc1Cl)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 C26H22BrClN2O4 MW 541.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrClN2O4/c1-33-21-9-13(8-19(27)24(21)34-12-14-4-2-3-5-20(14)28)11-29-30-25(31)22-15-6-7-16(18-10-17(15)18)23(22)26(30)32/h2-9,11,15-18,22-23H,10,12H2,1H3/b29-11+InChIKey
ROMCGFKMJYZVMT-VPUKRXIYSA-NSynonyms
2((3bromo4((2chlorobenzyl)oxy)5methoxybenzylidene)amino)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
COC1=C(C(=CC(=C1)C=NN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)Br)OCC6=CC=CC=C6Cl
COc1cc(C=NN2C(=O)C3C(C2=O)C2C=CC3C3C2C3)cc(c1OCc1ccccc1Cl)Br
InChI=1SC26H22BrClN2O4c13321913(819(27)24(21)341214423520(14)28)11293025(31)22156716(181017(15)18)23(22)26(30)32h291115182223H1012H21H3b2911+
MFCD01142201
ZINC000245226903
ZINC000245226906
ZINC000252394552
ZINC000252394555
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