Vitas-M small molecule compound
3-{[(4-methylphenyl)amino]methyl}-1-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Catalog ID
STL267461
SMILES Cc1ccc(cc1)NCc1n[n+](c2n1CCCCC2)CC(=O)c1ccccc1
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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 C23H27N4O MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N4O/c1-18-11-13-20(14-12-18)24-16-22-25-27(23-10-6-3-7-15-26(22)23)17-21(28)19-8-4-2-5-9-19/h2,4-5,8-9,11-14,24H,3,6-7,10,15-17H2,1H3/q+1InChIKey
XLZLZGALPIXZAZ-UHFFFAOYSA-NSynonyms
2(3((4methylanilino)methyl)6789tetrahydro5H(124)triazolo(43a)azepin4ium1yl)1phenylethanone
3(((4methylphenyl)amino)methyl)1(2oxo2phenylethyl)6789tetrahydro5H(124)triazolo(43a)azepin1ium
CC1=CC=C(C=C1)NCC2=NN(C3=(N+)2CCCCC3)CC(=O)C4=CC=CC=C4
Cc1ccc(cc1)NCc1n(n+)(c2n1CCCCC2)CC(=O)c1ccccc1
InChI=1SC23H27N4Oc118111320(141218)2416222527(23106371526(22)23)1721(28)198425919h24589111424H367101517H21H3q+1
ZINC000027028857
ZINC27028857
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