Vitas-M small molecule compound
3-{[(1E,2Z)-2-benzylideneoctylidene]amino}-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Catalog ID
STK538507
SMILES CCCCCC/C(=C/c1ccccc1)/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 C25H25FN4O2 MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN4O2/c1-2-3-4-6-11-18(14-17-9-7-5-8-10-17)16-27-30-24(31)23-22(29-25(30)32)20-15-19(26)12-13-21(20)28-23/h5,7-10,12-16,28H,2-4,6,11H2,1H3,(H,29,32)/b18-14-,27-16+InChIKey
VPINXZQWBLHRBQ-DPVRZMGRSA-NSynonyms
369393-62-43(((1E2Z)2benzylideneoctylidene)amino)8fluoro1Hpyrimido(54b)indole24(3H5H)dione
3((E)((2Z)2BENZYLIDENEOCTYLIDENE)AMINO)8FLUORO15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
3((E)((Z)2benzylideneoctylidene)amino)8fluoro1Hpyrimido(54b)indole24(3H5H)dione
369393624
CCCCCCC(=CC1=CC=CC=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)F)NC2=O
CCCCCCC(=Cc1ccccc1)C=Nn1c(=O)(nH)c2c(c1=O)(nH)c1c2cc(cc1)F
InChI=1SC25H25FN4O2c123461118(141797581017)16273024(31)2322(2925(30)32)201519(26)121321(20)2823h5710121628H24611H21H3(H2932)b18142716+
MFCD03000118
ZINC000002310744
ZINC2310742
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