Vitas-M small molecule compound

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

Catalog ID
STK831376
SMILES OCCCn1c(/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 C17H15N3O5 MW 341.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O5/c21-11-3-10-19-15(8-6-12-7-9-16(25-12)20(23)24)18-14-5-2-1-4-13(14)17(19)22/h1-2,4-9,21H,3,10-11H2/b8-6+
InChIKey
PPWMMWQBJRDQFH-SOFGYWHQSA-N
Synonyms
1164466-37-8
(E)3(3hydroxypropyl)2(2(5nitrofuran2yl)vinyl)quinazolin4(3H)one
1164466378
2((E)2(5NITROFURAN2YL)ETHENYL)3(3OXIDANYLPROPYL)QUINAZOLIN4ONE
3(3HYDROXYPROPYL)2((E)2(5NITRO2FURANYL)ETHENYL)4QUINAZOLINONE
3(3HYDROXYPROPYL)2((E)2(5NITRO2FURYL)VINYL)QUINAZOLIN4ONE
3(3hydroxypropyl)2((E)2(5nitrofuran2yl)ethenyl)quinazolin4(3H)one
3(3HYDROXYPROPYL)2((E)2(5NITROFURAN2YL)ETHENYL)QUINAZOLIN4ONE
3(3HYDROXYPROPYL)2(2(5NITRO2FURYL)VINYL)4(3H)QUINAZOLINONE
C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CC=C(O3)(N+)(=O)(O))CCCO
InChI=1SC17H15N3O5c21113101915(86127916(2512)20(23)24)1814521413(14)17(19)22h124921H31011H2b86+
MFCD03292079
OCCCn1c(C=Cc2ccc(o2)(N+)(=O)(O))nc2c(c1=O)cccc2
ZINC000004350448
ZINC04350448
ZINC4350448

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Available files

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