Vitas-M small molecule compound
N-[(1Z)-1-(1-cyano-2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethylidene)-1H-isoindol-3-yl]-4-nitrobenzamide
Catalog ID
STK716326
SMILES COc1ccc(cc1)CCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-])/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 C27H21N5O5 MW 495.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O5/c1-37-20-12-6-17(7-13-20)14-15-29-27(34)23(16-28)24-21-4-2-3-5-22(21)25(30-24)31-26(33)18-8-10-19(11-9-18)32(35)36/h2-13H,14-15H2,1H3,(H,29,34)(H,30,31,33)/b24-23-InChIKey
QDDWMEGMQXYINX-VHXPQNKSSA-NSynonyms
885185-64-8(Z)N(1(1cyano2((4methoxyphenethyl)amino)2oxoethylidene)1Hisoindol3yl)4nitrobenzamide
885185648
COC1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O))C#N
COc1ccc(cc1)CCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC27H21N5O5c1372012617(71320)14152927(34)23(1628)2421423522(21)25(3024)3126(33)1881019(11918)32(35)36h213H1415H21H3(H2934)(H303133)b2423
MFCD06606827
N((1Z)1(1cyano2((2(4methoxyphenyl)ethyl)amino)2oxoethylidene)1Hisoindol3yl)4nitrobenzamide
N((3Z)3(1CYANO2(2(4METHOXYPHENYL)ETHYLAMINO)2OXOETHYLIDENE)ISOINDOL1YL)4NITROBENZAMIDE
ZINC000002330465
ZINC02330465
ZINC2330465
Check stock
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Check stock on Vitas-MAvailable files
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