Vitas-M small molecule compound
4-[(E)-(2-{4-[(3-chloro-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazinylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
Catalog ID
STK673594
SMILES COc1cc(/C=N/Nc2nc(Nc3ccc(c(c3)Cl)C)nc(n2)N2CCOCC2)ccc1OC(=O)c1cc(F)c(cc1Cl)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 C29H25Cl2F2N7O4 MW 644.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25Cl2F2N7O4/c1-16-3-5-18(12-20(16)30)35-27-36-28(38-29(37-27)40-7-9-43-10-8-40)39-34-15-17-4-6-24(25(11-17)42-2)44-26(41)19-13-22(32)23(33)14-21(19)31/h3-6,11-15H,7-10H2,1-2H3,(H2,35,36,37,38,39)/b34-15+InChIKey
LPQLEFGUDLIGME-PUHLOBNQSA-NSynonyms
(4((E)((4(3chloro4methylanilino)6morpholin4yl135triazin2yl)hydrazinylidene)methyl)2methoxyphenyl)2chloro45difluorobenzoate
4((E)(2(4((3chloro4methylphenyl)amino)6(morpholin4yl)135triazin2yl)hydrazinylidene)methyl)2methoxyphenyl2chloro45difluorobenzoate
CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)NN=CC4=CC(=C(C=C4)OC(=O)C5=CC(=C(C=C5Cl)F)F)OC)Cl
COc1cc(C=NNc2nc(Nc3ccc(c(c3)Cl)C)nc(n2)N2CCOCC2)ccc1OC(=O)c1cc(F)c(cc1Cl)F
InChI=1SC29H25Cl2F2N7O4c1163518(1220(16)30)35273628(3829(3727)40794310840)393415174624(25(1117)422)4426(41)191322(32)23(33)1421(19)31h361115H710H212H3(H23536373839)b3415+
MFCD01029961
ZINC000008405886
ZINC150590062
Check stock
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Check stock on Vitas-MAvailable files
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