Vitas-M small molecule compound
3-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-2-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4(1H)-one
Catalog ID
STK756240
SMILES COc1cc(/C=N/N2C(=O)c3ccccc3NC2(C)c2cccc(c2)[N+](=O)[O-])ccc1OCc1ccccc1
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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 C30H26N4O5 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N4O5/c1-30(23-11-8-12-24(18-23)34(36)37)32-26-14-7-6-13-25(26)29(35)33(30)31-19-22-15-16-27(28(17-22)38-2)39-20-21-9-4-3-5-10-21/h3-19,32H,20H2,1-2H3/b31-19+InChIKey
CKEIYTZSENXNFD-ZCTHSVRISA-NSynonyms
3(((E)(4(benzyloxy)3methoxyphenyl)methylidene)amino)2methyl2(3nitrophenyl)23dihydroquinazolin4(1H)one
3((E)(3methoxy4phenylmethoxyphenyl)methylideneamino)2methyl2(3nitrophenyl)1Hquinazolin4one
CC1(NC2=CC=CC=C2C(=O)N1N=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C5=CC(=CC=C5)(N+)(=O)(O)
COc1cc(C=NN2C(=O)c3ccccc3NC2(C)c2cccc(c2)(N+)(=O)(O))ccc1OCc1ccccc1
InChI=1SC30H26N4O5c130(231181224(1823)34(36)37)322614761325(26)29(35)33(30)311922151627(28(1722)382)39202194351021h31932H20H212H3b3119+
MFCD01304110
ZINC000003663872
ZINC000003663874
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