Vitas-M small molecule compound
1-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(phenylamino)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Catalog ID
STL267470
SMILES Clc1ccc(cc1)C(=O)C[n+]1nc(n2c1CCCCC2)CNc1ccccc1
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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 C22H24ClN4O MW 395.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN4O/c23-18-12-10-17(11-13-18)20(28)16-27-22-9-5-2-6-14-26(22)21(25-27)15-24-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,24H,2,5-6,9,14-16H2/q+1InChIKey
NCSIDENVZBSHFG-UHFFFAOYSA-NSynonyms
1(2(4chlorophenyl)2oxoethyl)3((phenylamino)methyl)6789tetrahydro5H(124)triazolo(43a)azepin1ium
2(3(anilinomethyl)6789tetrahydro5H(124)triazolo(43a)azepin4ium1yl)1(4chlorophenyl)ethanone
C1CCC2=(N+)(CC1)C(=NN2CC(=O)C3=CC=C(C=C3)Cl)CNC4=CC=CC=C4
Clc1ccc(cc1)C(=O)C(n+)1nc(n2c1CCCCC2)CNc1ccccc1
InChI=1SC22H24ClN4Oc2318121017(111318)20(28)16272295261426(22)21(2527)1524197314819h13478101324H25691416H2q+1
ZINC000027028888
ZINC27028888
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