Vitas-M small molecule compound

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

Catalog ID
STK830511
SMILES [O-][N+](=O)c1cccc(c1)/C=C/c1nc2ccccc2c(=O)n1c1ccccc1[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 C22H14N4O5 MW 414.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N4O5/c27-22-17-8-1-2-9-18(17)23-21(13-12-15-6-5-7-16(14-15)25(28)29)24(22)19-10-3-4-11-20(19)26(30)31/h1-14H/b13-12+
InChIKey
OBTBXVBSOMPDLY-OUKQBFOZSA-N
Synonyms
334505-77-0
(E)3(2nitrophenyl)2(3nitrostyryl)quinazolin4(3H)one
(O)(N+)(=O)c1cccc(c1)C=Cc1nc2ccccc2c(=O)n1c1ccccc1(N+)(=O)(O)
2((1E)2(3NITROPHENYL)VINYL)3(2NITROPHENYL)3HYDROQUINAZOLIN4ONE
3(2nitrophenyl)2((E)2(3nitrophenyl)ethenyl)quinazolin4(3H)one
3(2NITROPHENYL)2((E)2(3NITROPHENYL)ETHENYL)QUINAZOLIN4ONE
3(2NITROPHENYL)2(2(3NITROPHENYL)VINYL)3HQUINAZOLIN4ONE
334505770
C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4(N+)(=O)(O)
InChI=1SC22H14N4O5c272217812918(17)2321(13121565716(1415)25(28)29)24(22)1910341120(19)26(30)31h114Hb1312+
MFCD01807224
ZINC000008922385
ZINC08922385
ZINC8922385

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Available files

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