Vitas-M small molecule compound

N-[(1Z)-1-{1-cyano-2-oxo-2-[(2-phenylethyl)amino]ethylidene}-1H-isoindol-3-yl]-4-nitrobenzamide

Catalog ID
STK991330
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)NCCc1ccccc1

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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 C26H19N5O4 MW 465.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N5O4/c27-16-22(26(33)28-15-14-17-6-2-1-3-7-17)23-20-8-4-5-9-21(20)24(29-23)30-25(32)18-10-12-19(13-11-18)31(34)35/h1-13H,14-15H2,(H,28,33)(H,29,30,32)/b23-22-
InChIKey
IUOXBTRVBDCHII-FCQUAONHSA-N
Synonyms
885185-26-2
(Z)N(1(1cyano2oxo2(phenethylamino)ethylidene)1Hisoindol3yl)4nitrobenzamide
885185262
C1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O))C#N
InChI=1SC26H19N5O4c271622(26(33)281514176213717)2320845921(20)24(2923)3025(32)18101219(131118)31(34)35h113H1415H2(H2833)(H293032)b2322
MFCD06593279
N#CC(=C1N=C(c2c1cccc2)NC(=O)c1ccc(cc1)(N+)(=O)(O))C(=O)NCCc1ccccc1
N((1Z)1(1cyano2oxo2((2phenylethyl)amino)ethylidene)1Hisoindol3yl)4nitrobenzamide
N((3Z)3(1cyano2oxo2(2phenylethylamino)ethylidene)isoindol1yl)4nitrobenzamide
N((3Z)3(1CYANO2OXO2(PHENETHYLAMINO)ETHYLIDENE)ISOINDOL1YL)4NITROBENZAMIDE
ZINC000002442035
ZINC02442035
ZINC2442035

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Available files

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