Vitas-M small molecule compound
3-{[(E)-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxyphenyl}methylidene]amino}-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Catalog ID
STK530856
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(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 C27H18FN5O5 MW 511.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18FN5O5/c1-38-21-9-6-14(10-15(21)13-32-24(34)17-4-2-3-5-18(17)25(32)35)12-29-33-26(36)23-22(31-27(33)37)19-11-16(28)7-8-20(19)30-23/h2-12,30H,13H2,1H3,(H,31,37)/b29-12+InChIKey
CYMQJKGIGDYGGW-XKJRVUDJSA-NSynonyms
383372-88-1(E)3((3((13dioxoisoindolin2yl)methyl)4methoxybenzylidene)amino)8fluoro1Hpyrimido(54b)indole24(3H5H)dione
3(((E)(3((13dioxo13dihydro2Hisoindol2yl)methyl)4methoxyphenyl)methylidene)amino)8fluoro1Hpyrimido(54b)indole24(3H5H)dione
3((E)(3((13DIOXOISOINDOL2YL)METHYL)4METHOXYPHENYL)METHYLIDENEAMINO)8FLUORO15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
383372881
COC1=C(C=C(C=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)F)NC2=O)CN5C(=O)C6=CC=CC=C6C5=O
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=Nn1c(=O)(nH)c2c(c1=O)(nH)c1c2cc(cc1)F
InChI=1SC27H18FN5O5c138219614(1015(21)133224(34)17423518(17)25(32)35)12293326(36)2322(3127(33)37)191116(28)7820(19)3023h21230H13H21H3(H3137)b2912+
MFCD02240297
ZINC000017112276
ZINC2309377
Check stock
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Check stock on Vitas-MAvailable files
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