Vitas-M small molecule compound

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

Catalog ID
STK991339
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)C(C)(C)C)/C(=O)NC(c1ccccc1)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 C30H28N4O2 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O2/c1-19(20-10-6-5-7-11-20)32-29(36)25(18-31)26-23-12-8-9-13-24(23)27(33-26)34-28(35)21-14-16-22(17-15-21)30(2,3)4/h5-17,19H,1-4H3,(H,32,36)(H,33,34,35)/b26-25-
InChIKey
RKXVPAYQXPNCKS-QPLCGJKRSA-N
Synonyms

4tertbutylN((1Z)1(1cyano2oxo2((1phenylethyl)amino)ethylidene)1Hisoindol3yl)benzamide
4tertbutylN((3Z)3(1cyano2oxo2(1phenylethylamino)ethylidene)isoindol1yl)benzamide
CC(C1=CC=CC=C1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C#N
InChI=1SC30H28N4O2c119(20106571120)3229(36)25(1831)262312891324(23)27(3326)3428(35)21141622(171521)30(23)4h51719H14H3(H3236)(H333435)b2625
MFCD07801915
N#CC(=C1N=C(c2c1cccc2)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)NC(c1ccccc1)C
ZINC000008836361
ZINC000008836362

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Available files

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