Vitas-M small molecule compound

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

Catalog ID
STK600012
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1cccc(c1)[N+](=O)[O-])/C(=O)NCCC(C)C

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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 C23H21N5O4 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O4/c1-14(2)10-11-25-23(30)19(13-24)20-17-8-3-4-9-18(17)21(26-20)27-22(29)15-6-5-7-16(12-15)28(31)32/h3-9,12,14H,10-11H2,1-2H3,(H,25,30)(H,26,27,29)/b20-19-
InChIKey
LDVFMGMLIIMFQS-VXPUYCOJSA-N
Synonyms
892615-31-5
(Z)N(1(1cyano2(isopentylamino)2oxoethylidene)1Hisoindol3yl)3nitrobenzamide
892615315
CC(C)CCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C#N
InChI=1SC23H21N5O4c114(2)10112523(30)19(1324)2017834918(17)21(2620)2722(29)1565716(1215)28(31)32h391214H1011H212H3(H2530)(H262729)b2019
MFCD06781215
N#CC(=C1N=C(c2c1cccc2)NC(=O)c1cccc(c1)(N+)(=O)(O))C(=O)NCCC(C)C
N((1Z)1(1cyano2((3methylbutyl)amino)2oxoethylidene)1Hisoindol3yl)3nitrobenzamide
N((3Z)3(1cyano2(3methylbutylamino)2oxoethylidene)isoindol1yl)3nitrobenzamide
ZINC000009108843
ZINC09108843
ZINC9108843

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Available files

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