Vitas-M small molecule compound

2,2,2-trifluoro-1-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone

Catalog ID
STK865122
SMILES O=C(C(F)(F)F)N1CCN(CC1)c1nc2ccc(cc2c(n1)c1ccccc1)[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 C20H16F3N5O3 MW 431.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N5O3/c21-20(22,23)18(29)26-8-10-27(11-9-26)19-24-16-7-6-14(28(30)31)12-15(16)17(25-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKey
HGNADKJXMAMJLS-UHFFFAOYSA-N
Synonyms
333749-31-8
222trifluoro1(4(6nitro4phenylquinazolin2yl)piperazin1yl)ethanone
222TRIFLUORO1(4(6NITRO4PHENYLQUINAZOLIN2YL)PIPERAZINYL)ETHAN1ONE
333749318
C1CN(CCN1C2=NC3=C(C=C(C=C3)(N+)(=O)(O))C(=N2)C4=CC=CC=C4)C(=O)C(F)(F)F
InChI=1SC20H16F3N5O3c2120(2223)18(29)2681027(11926)1924167614(28(30)31)1215(16)17(2519)134213513h1712H811H2
MFCD02578703
O=C(C(F)(F)F)N1CCN(CC1)c1nc2ccc(cc2c(n1)c1ccccc1)(N+)(=O)(O)
ZINC000000889796
ZINC00889796
ZINC889796

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Available files

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