Vitas-M small molecule compound

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

Catalog ID
STK716282
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1cccc(c1)[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)28-14-13-17-7-2-1-3-8-17)23-20-11-4-5-12-21(20)24(29-23)30-25(32)18-9-6-10-19(15-18)31(34)35/h1-12,15H,13-14H2,(H,28,33)(H,29,30,32)/b23-22-
InChIKey
ZROKTXANUZHJFP-FCQUAONHSA-N
Synonyms
892622-49-0
(Z)N(1(1cyano2oxo2(phenethylamino)ethylidene)1Hisoindol3yl)3nitrobenzamide
892622490
C1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)(N+)(=O)(O))C#N
InChI=1SC26H19N5O4c271622(26(33)281413177213817)232011451221(20)24(2923)3025(32)18961019(1518)31(34)35h11215H1314H2(H2833)(H293032)b2322
MFCD06601162
N#CC(=C1N=C(c2c1cccc2)NC(=O)c1cccc(c1)(N+)(=O)(O))C(=O)NCCc1ccccc1
N((1Z)1(1cyano2oxo2((2phenylethyl)amino)ethylidene)1Hisoindol3yl)3nitrobenzamide
N((3Z)3(1cyano2oxo2(2phenylethylamino)ethylidene)isoindol1yl)3nitrobenzamide
N((3Z)3(1CYANO2OXO2(PHENETHYLAMINO)ETHYLIDENE)ISOINDOL1YL)3NITROBENZAMIDE
ZINC000002227671
ZINC02227671
ZINC2227671

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Available files

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