Vitas-M small molecule compound
4-chloro-N-{(E)-(2,3-dihydro-1,4-benzodioxin-6-ylamino)[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)amino]methylidene}benzamide
Catalog ID
STK167069
SMILES CCCc1nc(N/C(=N/C(=O)c2ccc(cc2)Cl)/Nc2ccc3c(c2)OCCO3)[nH]c(=O)c1
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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 C23H22ClN5O4 MW 467.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN5O4/c1-2-3-16-13-20(30)27-22(25-16)29-23(28-21(31)14-4-6-15(24)7-5-14)26-17-8-9-18-19(12-17)33-11-10-32-18/h4-9,12-13H,2-3,10-11H2,1H3,(H3,25,26,27,28,29,30,31)InChIKey
SBOLTXKCBLLQTE-UHFFFAOYSA-NSynonyms
2(((1Z)1(2H3HBENZO(34E)14DIOXIN6YLAMINO)3(4CHLOROPHENYL)3OXO2AZAPROP1ENYL)AMINO)6PROPYL3HYDROPYRIMIDIN4ONE
4CHLORON((23DIHYDRO14BENZODIOXIN6YLAMINO)((4OXO6PROPYL1HPYRIMIDIN2YL)AMINO)METHYLIDENE)BENZAMIDE
4CHLORON((E)(23DIHYDRO14BENZODIOXIN6YLAMINO)((6OXO4PROPYL16DIHYDROPYRIMIDIN2YL)AMINO)METHYLIDENE)BENZAMIDE
CCCC1=CC(=O)N=C(N1)NC(=NC(=O)C2=CC=C(C=C2)Cl)NC3=CC4=C(C=C3)OCCO4
CCCc1nc(NC(=NC(=O)c2ccc(cc2)Cl)Nc2ccc3c(c2)OCCO3)(nH)c(=O)c1
InChI=1SC23H22ClN5O4c123161320(30)2722(2516)2923(2821(31)144615(24)7514)2617891819(1217)3311103218h491213H231011H21H3(H325262728293031)
MFCD04190797
ZINC000002848419
ZINC2848419
Check stock
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Check stock on Vitas-MAvailable files
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