Vitas-M small molecule compound
N-(4-{1-[2-(3,4-dichlorophenyl)-2-oxoethyl]pyridin-4(1H)-ylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium
Catalog ID
STK329215
SMILES C[N+](=C1C=C/C(=c/2\ccn(cc2)CC(=O)c2ccc(c(c2)Cl)Cl)/C=C1)C
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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 C21H19Cl2N2O MW 386.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N2O/c1-24(2)18-6-3-15(4-7-18)16-9-11-25(12-10-16)14-21(26)17-5-8-19(22)20(23)13-17/h3-13H,14H2,1-2H3/q+1InChIKey
ZBESESBCBCBMBL-UHFFFAOYSA-NSynonyms
1(34dichlorophenyl)2(4(4(dimethylamino)phenyl)pyridin1ium1yl)ethanone
C(N+)(=C1C=CC(=c2ccn(cc2)CC(=O)c2ccc(c(c2)Cl)Cl)C=C1)C
CN(C)C1=CC=C(C=C1)C2=CC=(N+)(C=C2)CC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC21H19Cl2N2Oc124(2)186315(4718)1691125(121016)1421(26)175819(22)20(23)1317h313H14H212H3q+1
MFCD02292781
N(4(1(2(34dichlorophenyl)2oxoethyl)pyridin4(1H)ylidene)cyclohexa25dien1ylidene)Nmethylmethanaminium
ZINC000018191543
ZINC18191543
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