Vitas-M small molecule compound
2-(butylamino)-1-[2-(4-chlorophenyl)-2-oxoethyl]pyrimidin-1-ium
Catalog ID
STK147571
SMILES CCCCNc1nccc[n+]1CC(=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 C16H19ClN3O MW 304.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN3O/c1-2-3-9-18-16-19-10-4-11-20(16)12-15(21)13-5-7-14(17)8-6-13/h4-8,10-11H,2-3,9,12H2,1H3/p+1InChIKey
QSEZPLICJKEMNK-UHFFFAOYSA-OSynonyms
2(2(BUTYLAMINO)PYRIMIDIN1IUM1YL)1(4CHLOROPHENYL)ETHANONE
2(BUTYLAMINO)1(2(4CHLOROPHENYL)2OXOETHYL)PYRIMIDIN1IUM
CCCCNC1=NC=CC=(N+)1CC(=O)C2=CC=C(C=C2)Cl
CCCCNc1nccc(n+)1CC(=O)c1ccc(cc1)Cl
InChI=1SC16H18ClN3Oc12391816191041120(16)1215(21)135714(17)8613h481011H23912H21H3p+1
MFCD09267568
ZINC000334157477
ZINC04688987
ZINC4688987
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