Vitas-M small molecule compound

(2E)-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

Catalog ID
STL017178
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1[N+](=O)[O-])C)/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 C22H14N4O4 MW 398.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N4O4/c1-13-6-8-17(19(10-13)26(28)29)20-9-7-15(30-20)11-14(12-23)21-24-18-5-3-2-4-16(18)22(27)25-21/h2-11H,1H3,(H,24,25,27)/b14-11+
InChIKey
BPWPLZQIEGXBGZ-SDNWHVSQSA-N
Synonyms
627890-44-2
(2E)3(5(4METHYL2NITROPHENYL)(2FURYL))2(4OXO(3HYDROQUINAZOLIN2YL))PROP2ENENITRILE
(2E)3(5(4methyl2nitrophenyl)furan2yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(E)3(5(4METHYL2NITROPHENYL)FURAN2YL)2(4OXO1HQUINAZOLIN2YL)PROP2ENENITRILE
627890442
CC1=CC(=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)(N+)(=O)(O)
InChI=1SC22H14N4O4c1136817(19(1013)26(28)29)209715(3020)1114(1223)212418532416(18)22(27)2521h211H1H3(H242527)b1411+
MFCD04443843
N#CC(=Cc1ccc(o1)c1ccc(cc1(N+)(=O)(O))C)c1nc2ccccc2c(=O)(nH)1
ZINC000004137488
ZINC4137488

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Available files

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