Vitas-M small molecule compound

methyl 4-[(E)-2-cyano-2-(4-oxo-3,4-dihydroquinazolin-2-yl)ethenyl]benzoate

Catalog ID
STK705345
SMILES N#C/C(=C\c1ccc(cc1)C(=O)OC)/c1nc2ccccc2c(=O)[nH]1

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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 C19H13N3O3 MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O3/c1-25-19(24)13-8-6-12(7-9-13)10-14(11-20)17-21-16-5-3-2-4-15(16)18(23)22-17/h2-10H,1H3,(H,21,22,23)/b14-10+
InChIKey
FCMAGWXZVIREQF-GXDHUFHOSA-N
Synonyms
620583-70-2
620583702
COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2
InChI=1SC19H13N3O3c12519(24)138612(7913)1014(1120)172116532415(16)18(23)2217h210H1H3(H212223)b1410+
METHYL4((E)2CYANO2(4OXO1HQUINAZOLIN2YL)ETHENYL)BENZOATE
methyl4((E)2cyano2(4oxo34dihydroquinazolin2yl)ethenyl)benzoate
MFCD04214844
N#CC(=Cc1ccc(cc1)C(=O)OC)c1nc2ccccc2c(=O)(nH)1
ZINC000004170186
ZINC4170186

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.