Vitas-M small molecule compound
2-{[(E)-(1-hexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]amino}-N,N,N-trimethylethanaminium
Catalog ID
STL147343
SMILES CCCCCCN1C(=O)N=C(/C(=C\NCC[N+](C)(C)C)/C1=O)O
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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 C16H29N4O3 MW 325.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H28N4O3/c1-5-6-7-8-10-19-15(22)13(14(21)18-16(19)23)12-17-9-11-20(2,3)4/h12H,5-11H2,1-4H3,(H-,17,18,21,22,23)/p+1InChIKey
LHWDKMOLQHXDIE-UHFFFAOYSA-OSynonyms
2(((E)(1HEXYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)ETHYLTRIMETHYLAZANIUM
2(((E)(1hexyl4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)amino)NNNtrimethylethanaminium
2((1HEXYL246TRIOXO13DIAZINAN5YLIDENE)METHYLAMINO)ETHYLTRIMETHYLAZANIUM
CCCCCCN1C(=O)C(=CNCC(N+)(C)(C)C)C(=O)NC1=O
CCCCCCN1C(=O)N=C(C(=CNCC(N+)(C)(C)C)C1=O)O
InChI=1SC16H28N4O3c15678101915(22)13(14(21)1816(19)23)121791120(23)4h12H511H214H3(H1718212223)p+1
MFCD04075943
ZINC000005929440
ZINC05929440
ZINC5929440
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