Vitas-M small molecule compound
2-{[(1-{(E)-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)imino]methyl}naphthalen-2-yl)oxy]methyl}benzonitrile
Catalog ID
STK195792
SMILES N#Cc1ccccc1COc1ccc2c(c1/C=N/n1c(=O)[nH]c3c(c1=O)cccc3)cccc2
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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 C27H18N4O3 MW 446.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N4O3/c28-15-19-8-1-2-9-20(19)17-34-25-14-13-18-7-3-4-10-21(18)23(25)16-29-31-26(32)22-11-5-6-12-24(22)30-27(31)33/h1-14,16H,17H2,(H,30,33)/b29-16+InChIKey
RYOULFACSPUFFL-MUFRIFMGSA-NSynonyms
2(((1((E)((24DIOXO14DIHYDROQUINAZOLIN3(2H)YL)IMINO)METHYL)NAPHTHALEN2YL)OXY)METHYL)BENZONITRILE
2((1((E)(24dioxo1Hquinazolin3yl)iminomethyl)naphthalen2yl)oxymethyl)benzonitrile
C1=CC=C2C(=C1)C=CC(=C2C=NN3C(=O)C4=CC=CC=C4NC3=O)OCC5=CC=CC=C5C#N
InChI=1SC27H18N4O3c281519812920(19)1734251413187341021(18)23(25)16293126(32)2211561224(22)3027(31)33h11416H17H2(H3033)b2916+
MFCD06665849
N#Cc1ccccc1COc1ccc2c(c1C=Nn1c(=O)(nH)c3c(c1=O)cccc3)cccc2
ZINC000009933818
ZINC96860831
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