Vitas-M small molecule compound

3-(2-methyl-5-nitrophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4(3H)-one

Catalog ID
STK548777
SMILES [O-][N+](=O)c1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1cc(ccc1C)[N+](=O)[O-]

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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 C23H16N4O5 MW 428.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N4O5/c1-15-6-10-18(27(31)32)14-21(15)25-22(24-20-5-3-2-4-19(20)23(25)28)13-9-16-7-11-17(12-8-16)26(29)30/h2-14H,1H3/b13-9+
InChIKey
VMSRLIDHSOLOIQ-UKTHLTGXSA-N
Synonyms
488811-00-3
(E)3(2methyl5nitrophenyl)2(4nitrostyryl)quinazolin4(3H)one
(O)(N+)(=O)c1ccc(cc1)C=Cc1nc2ccccc2c(=O)n1c1cc(ccc1C)(N+)(=O)(O)
3(2methyl5nitrophenyl)2((E)2(4nitrophenyl)ethenyl)quinazolin4(3H)one
3(2METHYL5NITROPHENYL)2((E)2(4NITROPHENYL)ETHENYL)QUINAZOLIN4ONE
488811003
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H16N4O5c11561018(27(31)32)1421(15)2522(2420532419(20)23(25)28)1391671117(12816)26(29)30h214H1H3b139+
MFCD03293439
ZINC000009272079
ZINC09272079
ZINC9272079

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Available files

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