Vitas-M small molecule compound
N-[(1E)-3-[(1H-benzimidazol-2-ylmethyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Catalog ID
STL191345
SMILES COc1ccc(cc1)/C=C(\C(=O)NCc1nc2c([nH]1)cccc2)/NC(=O)c1ccccc1Cl
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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 C25H21ClN4O3 MW 460.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O3/c1-33-17-12-10-16(11-13-17)14-22(30-24(31)18-6-2-3-7-19(18)26)25(32)27-15-23-28-20-8-4-5-9-21(20)29-23/h2-14H,15H2,1H3,(H,27,32)(H,28,29)(H,30,31)/b22-14+InChIKey
ZJVREMNTUHOHCL-HYARGMPZSA-NSynonyms
COC1=CC=C(C=C1)C=C(C(=O)NCC2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4Cl
COc1ccc(cc1)C=C(C(=O)NCc1nc2c((nH)1)cccc2)NC(=O)c1ccccc1Cl
InChI=1SC25H21ClN4O3c13317121016(111317)1422(3024(31)18623719(18)26)25(32)2715232820845921(20)2923h214H15H21H3(H2732)(H2829)(H3031)b2214+
MFCD22390301
N((1E)3((1Hbenzimidazol2ylmethyl)amino)1(4methoxyphenyl)3oxoprop1en2yl)2chlorobenzamide
N((E)3(1Hbenzimidazol2ylmethylamino)1(4methoxyphenyl)3oxoprop1en2yl)2chlorobenzamide
ZINC000072332446
ZINC72332446
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