Vitas-M small molecule compound

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

Catalog ID
STK557302
SMILES Cc1ccc(c(c1)C)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 C22H17N3O4 MW 387.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4/c1-14-7-10-19(15(2)13-14)24-20(11-8-16-9-12-21(29-16)25(27)28)23-18-6-4-3-5-17(18)22(24)26/h3-13H,1-2H3/b11-8+
InChIKey
BFDJGZRYYPAZFT-DHZHZOJOSA-N
Synonyms
578751-23-2
(E)3(24dimethylphenyl)2(2(5nitrofuran2yl)vinyl)quinazolin4(3H)one
3(24dimethylphenyl)2((E)2(5nitrofuran2yl)ethenyl)quinazolin4(3H)one
3(24DIMETHYLPHENYL)2((E)2(5NITROFURAN2YL)ETHENYL)QUINAZOLIN4ONE
578751232
CC1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC=C(O4)(N+)(=O)(O))C
Cc1ccc(c(c1)C)n1c(C=Cc2ccc(o2)(N+)(=O)(O))nc2c(c1=O)cccc2
InChI=1SC22H17N3O4c11471019(15(2)1314)2420(1181691221(2916)25(27)28)2318643517(18)22(24)26h313H12H3b118+
MFCD04024321
ZINC000005072436
ZINC05072436
ZINC5072436

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Available files

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