Vitas-M small molecule compound
2-({(E)-[1-(2-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-N,N,N-trimethylethanaminium
Catalog ID
STL050836
SMILES O=C1N=C(O)/C(=C\NCC[N+](C)(C)C)/C(=O)N1c1ccccc1Cl
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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 C16H20ClN4O3 MW 351.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19ClN4O3/c1-21(2,3)9-8-18-10-11-14(22)19-16(24)20(15(11)23)13-7-5-4-6-12(13)17/h4-7,10H,8-9H2,1-3H3,(H-,18,19,22,23,24)/p+1InChIKey
YARXPYDIHNQPHO-UHFFFAOYSA-OSynonyms
2(((E)(1(2CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)ETHYLTRIMETHYLAZANIUM
2(((E)(1(2chlorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)amino)NNNtrimethylethanaminium
2((1(2CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYLAMINO)ETHYLTRIMETHYLAZANIUM
C(N+)(C)(C)CCNC=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2Cl
InChI=1SC16H19ClN4O3c121(23)9818101114(22)1916(24)20(15(11)23)13754612(13)17h4710H89H213H3(H1819222324)p+1
O=C1N=C(O)C(=CNCC(N+)(C)(C)C)C(=O)N1c1ccccc1Cl
ZINC000005999407
ZINC05999407
ZINC5999407
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