Vitas-M small molecule compound

N-[(1Z)-1-(1-cyano-2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethylidene)-1H-isoindol-3-yl]furan-2-carboxamide

Catalog ID
STK716328
SMILES COc1ccc(cc1)CCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccco1)/C#N

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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 C25H20N4O4 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O4/c1-32-17-10-8-16(9-11-17)12-13-27-24(30)20(15-26)22-18-5-2-3-6-19(18)23(28-22)29-25(31)21-7-4-14-33-21/h2-11,14H,12-13H2,1H3,(H,27,30)(H,28,29,31)/b22-20-
InChIKey
GMSHZSVWVHTGRG-XDOYNYLZSA-N
Synonyms
896077-28-4
(Z)N(1(1cyano2((4methoxyphenethyl)amino)2oxoethylidene)1Hisoindol3yl)furan2carboxamide
896077284
COC1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CO4)C#N
COc1ccc(cc1)CCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1ccco1)C#N
FURAN2CARBOXYLICACID(3(1CYANO1(2(4METHOXYPHENYL)ETHYLCARBAMOYL)METH(Z)YLIDENE)3HISOINDOL1YL)AMIDE
InChI=1SC25H20N4O4c1321710816(91117)12132724(30)20(1526)2218523619(18)23(2822)2925(31)2174143321h21114H1213H21H3(H2730)(H282931)b2220
MFCD06592502
N((1Z)1(1cyano2((2(4methoxyphenyl)ethyl)amino)2oxoethylidene)1Hisoindol3yl)furan2carboxamide
N((3Z)3(1CYANO2(2(4METHOXYPHENYL)ETHYLAMINO)2OXOETHYLIDENE)ISOINDOL1YL)FURAN2CARBOXAMIDE
ZINC000002438464
ZINC02438464
ZINC2438464

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.