Vitas-M small molecule compound
4-{(2Z)-2-[3-chloro-5-(4-fluorophenyl)-2-(4-methylphenyl)-1-benzoxepin-4(5H)-ylidene]ethyl}morpholin-4-ium
Catalog ID
STL445173
SMILES Cc1ccc(cc1)C1=C(Cl)/C(=C\C[NH+]2CCOCC2)/C(c2c(O1)cccc2)c1ccc(cc1)F
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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 C29H28ClFNO2 MW 477.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClFNO2/c1-20-6-8-22(9-7-20)29-28(30)25(14-15-32-16-18-33-19-17-32)27(21-10-12-23(31)13-11-21)24-4-2-3-5-26(24)34-29/h2-14,27H,15-19H2,1H3/p+1/b25-14-InChIKey
KUABJNYBUYPDTM-QFEZKATASA-OSynonyms
4((2Z)2(3chloro5(4fluorophenyl)2(4methylphenyl)1benzoxepin4(5H)ylidene)ethyl)morpholin4ium
Cc1ccc(cc1)C1=C(Cl)C(=CC(NH+)2CCOCC2)C(c2c(O1)cccc2)c1ccc(cc1)F
ZINC000020102771
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