Vitas-M small molecule compound

3-(3-methylphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4(3H)-one

Catalog ID
STK999452
SMILES Cc1cccc(c1)n1c(/C=C/c2ccc(o2)[N+](=O)[O-])nc2c(c1=O)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 C21H15N3O4 MW 373.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O4/c1-14-5-4-6-15(13-14)23-19(11-9-16-10-12-20(28-16)24(26)27)22-18-8-3-2-7-17(18)21(23)25/h2-13H,1H3/b11-9+
InChIKey
INVDZMLQVYHNCX-PKNBQFBNSA-N
Synonyms
1164464-01-0
(E)2(2(5nitrofuran2yl)vinyl)3(mtolyl)quinazolin4(3H)one
1164464010
2(2(5NITRO2FURYL)VINYL)3(3METHYLPHENYL)QUINAZOLINE4(3H)ONE
2(2(5NITROFURAN2YL)VINYL)3MTOLYL3HQUINAZOLIN4ONE
3(3METHYLPHENYL)2((E)2(5NITRO2FURANYL)ETHENYL)4QUINAZOLINONE
3(3methylphenyl)2((E)2(5nitrofuran2yl)ethenyl)quinazolin4(3H)one
3(3METHYLPHENYL)2((E)2(5NITROFURAN2YL)ETHENYL)QUINAZOLIN4ONE
3(MTOLYL)2((E)2(5NITRO2FURYL)VINYL)QUINAZOLIN4ONE
CC1=CC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC=C(O4)(N+)(=O)(O)
Cc1cccc(c1)n1c(C=Cc2ccc(o2)(N+)(=O)(O))nc2c(c1=O)cccc2
InChI=1SC21H15N3O4c11454615(1314)2319(11916101220(2816)24(26)27)2218832717(18)21(23)25h213H1H3b119+
MFCD03138108
ZINC000004142545
ZINC04142545
ZINC4142545

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Available files

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