Vitas-M small molecule compound

N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide

Catalog ID
STK775655
SMILES Clc1ccc(c(c1)Cl)C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)NCCc1nc2c([nH]1)cccc2

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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 C26H20Cl2N4O4 MW 523.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20Cl2N4O4/c27-16-6-7-17(18(28)13-16)25(33)32-21(11-15-5-8-22-23(12-15)36-14-35-22)26(34)29-10-9-24-30-19-3-1-2-4-20(19)31-24/h1-8,11-13H,9-10,14H2,(H,29,34)(H,30,31)(H,32,33)/b21-11-
InChIKey
LLWHYTJSWHHFHS-NHDPSOOVSA-N
Synonyms
1164462-02-5
(Z)N(3((2(1Hbenzo(d)imidazol2yl)ethyl)amino)1(benzo(d)(13)dioxol5yl)3oxoprop1en2yl)24dichlorobenzamide
1164462025
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCC3=NC4=CC=CC=C4N3)NC(=O)C5=C(C=C(C=C5)Cl)Cl
Clc1ccc(c(c1)Cl)C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)NCCc1nc2c((nH)1)cccc2
InChI=1SC26H20Cl2N4O4c27166717(18(28)1316)25(33)3221(1115582223(1215)36143522)26(34)29109243019312420(19)3124h181113H91014H2(H2934)(H3031)(H3233)b2111
MFCD04160759
N((1Z)3((2(1Hbenzimidazol2yl)ethyl)amino)1(13benzodioxol5yl)3oxoprop1en2yl)24dichlorobenzamide
N((Z)1(2(1HBENZIMIDAZOL2YL)ETHYLCARBAMOYL)2(13BENZODIOXOL5YL)VINYL)24DICHLOROBENZAMIDE
N((Z)2BENZO(13)DIOXOL5YL1(2(1HBENZOIMIDAZOL2YL)ETHYLCARBAMOYL)VINYL)24DICHLOROBENZAMIDE
N((Z)3(2(1HBENZIMIDAZOL2YL)ETHYLAMINO)1(13BENZODIOXOL5YL)3OXIDANYLIDENEPROP1EN2YL)24BIS(CHLORANYL)BENZAMIDE
N((Z)3(2(1HBENZIMIDAZOL2YL)ETHYLAMINO)1(13BENZODIOXOL5YL)3OXOPROP1EN2YL)24DICHLOROBENZAMIDE
ZINC000008684708
ZINC8684708

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Available files

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