Vitas-M small molecule compound
4-bromo-N-[(4E)-8-ethoxy-6-(4-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-ylidene]anilinium
Catalog ID
STK372838
SMILES CCOc1cc(c/c(=[NH+]\c2ccc(cc2)Br)/c2c1c(C)oc2C)c1ccc(cc1)OC
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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 C26H25BrNO3 MW 479.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrNO3/c1-5-30-24-15-19(18-6-12-22(29-4)13-7-18)14-23(25-16(2)31-17(3)26(24)25)28-21-10-8-20(27)9-11-21/h6-15H,5H2,1-4H3/p+1/b28-23+InChIKey
QDKCDYVGYIOZHM-WEMUOSSPSA-OSynonyms
(E)(4bromophenyl)(4ethoxy6(4methoxyphenyl)13dimethylcyclohepta(c)furan8ylidene)azanium
4bromoN((4E)8ethoxy6(4methoxyphenyl)13dimethyl4Hcyclohepta(c)furan4ylidene)anilinium
CCOC1=CC(=CC(=(NH+)C2=CC=C(C=C2)Br)C3=C(OC(=C13)C)C)C4=CC=C(C=C4)OC
CCOc1cc(cc(=(NH+)c2ccc(cc2)Br)c2c1c(C)oc2C)c1ccc(cc1)OC
InChI=1SC26H24BrNO3c1530241519(1861222(294)13718)1423(2516(2)3117(3)26(24)25)282110820(27)91121h615H5H214H3p+1b2823+
MFCD00326569
ZINC000016121600
ZINC001505385426
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