Vitas-M small molecule compound

N-{(1Z)-1-[2-(benzylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-4-nitrobenzamide

Catalog ID
STK716310
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)NCc1ccccc1

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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 C25H17N5O4 MW 451.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N5O4/c26-14-21(25(32)27-15-16-6-2-1-3-7-16)22-19-8-4-5-9-20(19)23(28-22)29-24(31)17-10-12-18(13-11-17)30(33)34/h1-13H,15H2,(H,27,32)(H,28,29,31)/b22-21-
InChIKey
XQJUYUWWAFVDEW-DQRAZIAOSA-N
Synonyms
885184-36-1
(Z)N(1(2(benzylamino)1cyano2oxoethylidene)1Hisoindol3yl)4nitrobenzamide
885184361
C1=CC=C(C=C1)CNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O))C#N
InChI=1SC25H17N5O4c261421(25(32)2715166213716)2219845920(19)23(2822)2924(31)17101218(131117)30(33)34h113H15H2(H2732)(H282931)b2221
MFCD06777839
N#CC(=C1N=C(c2c1cccc2)NC(=O)c1ccc(cc1)(N+)(=O)(O))C(=O)NCc1ccccc1
N((1Z)1(2(benzylamino)1cyano2oxoethylidene)1Hisoindol3yl)4nitrobenzamide
N((3Z)3(2(BENZYLAMINO)1CYANO2OXOETHYLIDENE)ISOINDOL1YL)4NITROBENZAMIDE
ZINC000009328118
ZINC09328118
ZINC9328118

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Available files

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