Vitas-M small molecule compound
4-(2-{(2E)-2-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)benzylidene]hydrazinyl}-5-fluoropyrimidin-4-yl)morpholine
Catalog ID
STL378234
SMILES CCOc1cc(/C=N/Nc2ncc(c(n2)N2CCOCC2)F)cc(c1OCc1cccc2c1cccc2)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 C28H27FIN5O3 MW 627.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27FIN5O3/c1-2-37-25-15-19(16-32-34-28-31-17-23(29)27(33-28)35-10-12-36-13-11-35)14-24(30)26(25)38-18-21-8-5-7-20-6-3-4-9-22(20)21/h3-9,14-17H,2,10-13,18H2,1H3,(H,31,33,34)/b32-16+InChIKey
SGXFQJAYDITWCN-KPGMTVGESA-NSynonyms
4(2((2E)2(3ethoxy5iodo4(naphthalen1ylmethoxy)benzylidene)hydrazinyl)5fluoropyrimidin4yl)morpholine
CCOC1=C(C(=CC(=C1)C=NNC2=NC=C(C(=N2)N3CCOCC3)F)I)OCC4=CC=CC5=CC=CC=C54
CCOc1cc(C=NNc2ncc(c(n2)N2CCOCC2)F)cc(c1OCc1cccc2c1cccc2)I
InChI=1SC28H27FIN5O3c1237251519(16323428311723(29)27(3328)35101236131135)1424(30)26(25)38182185720634922(20)21h391417H2101318H21H3(H313334)b3216+
MFCD02268413
N((E)(3ethoxy5iodo4(naphthalen1ylmethoxy)phenyl)methylideneamino)5fluoro4morpholin4ylpyrimidin2amine
ZINC000150663619
ZINC150385539
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