Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-chloro-4-fluorobenzyl)-2-methyl-1H-indol-3-yl]prop-2-enenitrile
Catalog ID
STK287309
SMILES N#C/C(=C\c1c(C)n(c2c1cccc2)Cc1ccc(cc1Cl)F)/c1nc2c([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 C26H18ClFN4 MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClFN4/c1-16-21(12-18(14-29)26-30-23-7-3-4-8-24(23)31-26)20-6-2-5-9-25(20)32(16)15-17-10-11-19(28)13-22(17)27/h2-13H,15H2,1H3,(H,30,31)/b18-12+InChIKey
FOCGROCKYLGPGZ-LDADJPATSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(1(2chloro4fluorobenzyl)2methyl1Hindol3yl)prop2enenitrile
(E)2(1Hbenzimidazol2yl)3(1((2chloro4fluorophenyl)methyl)2methylindol3yl)prop2enenitrile
CC1=C(C2=CC=CC=C2N1CC3=C(C=C(C=C3)F)Cl)C=C(C#N)C4=NC5=CC=CC=C5N4
InChI=1SC26H18ClFN4c11621(1218(1429)263023734824(23)3126)20625925(20)32(16)1517101119(28)1322(17)27h213H15H21H3(H3031)b1812+
MFCD07178729
N#CC(=Cc1c(C)n(c2c1cccc2)Cc1ccc(cc1Cl)F)c1nc2c((nH)1)cccc2
ZINC000009187446
ZINC09187446
ZINC9187446
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