Vitas-M small molecule compound
3-{[(4-chlorophenyl)amino]methyl}-1-[2-(4-chlorophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Catalog ID
STL147114
SMILES Clc1ccc(cc1)NCc1n[n+](c2n1CCCCC2)CC(=O)c1ccc(cc1)Cl
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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 C22H23Cl2N4O MW 430.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2N4O/c23-17-7-5-16(6-8-17)20(29)15-28-22-4-2-1-3-13-27(22)21(26-28)14-25-19-11-9-18(24)10-12-19/h5-12,25H,1-4,13-15H2/q+1InChIKey
LQQOBBBJCBSRCF-UHFFFAOYSA-NSynonyms
1(2(4chlorophenyl)2oxoethyl)3(((4chlorophenyl)amino)methyl)6789tetrahydro5H(124)triazolo(43a)azepin1iumbromide
1(4CHLOROPHENYL)2(3(((4CHLOROPHENYL)AMINO)METHYL)(5H6H7H8H9H124TRIAZOLO(43A)AZAPERHYDROEPINYL))ETHAN1ONE
2(3((4chloroanilino)methyl)6789tetrahydro5H(124)triazolo(43a)azepin4ium1yl)1(4chlorophenyl)ethanone
3(((4chlorophenyl)amino)methyl)1(2(4chlorophenyl)2oxoethyl)6789tetrahydro5H(124)triazolo(43a)azepin1ium
C1CCC2=(N+)(CC1)C(=NN2CC(=O)C3=CC=C(C=C3)Cl)CNC4=CC=C(C=C4)Cl
Clc1ccc(cc1)NCc1n(n+)(c2n1CCCCC2)CC(=O)c1ccc(cc1)Cl
Clc1ccc(cc1)NCc1n(n+)(c2n1CCCCC2)CC(=O)c1ccc(cc1)Cl(Br)
InChI=1SC22H23Cl2N4Oc23177516(6817)20(29)15282242131327(22)21(2628)14251911918(24)101219h51225H141315H2q+1
MFCD02989592
ZINC000015974041
ZINC15974041
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