Vitas-M small molecule compound
4-{2-[(2E)-2-{4-[(2,4-dichlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}hydrazinyl]-5-fluoropyrimidin-4-yl}morpholine
Catalog ID
STL378232
SMILES COc1cc(/C=N/Nc2ncc(c(n2)N2CCOCC2)F)cc(c1OCc1ccc(cc1Cl)Cl)I
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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 C23H21Cl2FIN5O3 MW 632.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21Cl2FIN5O3/c1-33-20-9-14(8-19(27)21(20)35-13-15-2-3-16(24)10-17(15)25)11-29-31-23-28-12-18(26)22(30-23)32-4-6-34-7-5-32/h2-3,8-12H,4-7,13H2,1H3,(H,28,30,31)/b29-11+InChIKey
IBRLLGOPUKNUJG-VPUKRXIYSA-NSynonyms
4(2((2E)2(4((24dichlorobenzyl)oxy)3iodo5methoxybenzylidene)hydrazinyl)5fluoropyrimidin4yl)morpholine
COC1=C(C(=CC(=C1)C=NNC2=NC=C(C(=N2)N3CCOCC3)F)I)OCC4=C(C=C(C=C4)Cl)Cl
COc1cc(C=NNc2ncc(c(n2)N2CCOCC2)F)cc(c1OCc1ccc(cc1Cl)Cl)I
InChI=1SC23H21Cl2FIN5O3c13320914(819(27)21(20)3513152316(24)1017(15)25)11293123281218(26)22(3023)3246347532h23812H4713H21H3(H283031)b2911+
MFCD02268425
N((E)(4((24dichlorophenyl)methoxy)3iodo5methoxyphenyl)methylideneamino)5fluoro4morpholin4ylpyrimidin2amine
ZINC000150663618
ZINC150385538
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