Vitas-M small molecule compound
2-({(E)-[4-hydroxy-1-(naphthalen-1-yl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-N,N,N-trimethylethanaminium
Catalog ID
STL147353
SMILES O=C1N=C(O)/C(=C\NCC[N+](C)(C)C)/C(=O)N1c1cccc2c1cccc2
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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 C20H23N4O3 MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3/c1-24(2,3)12-11-21-13-16-18(25)22-20(27)23(19(16)26)17-10-6-8-14-7-4-5-9-15(14)17/h4-10,13H,11-12H2,1-3H3,(H-,21,22,25,26,27)/p+1InChIKey
FUYQDEHXCMIJEH-UHFFFAOYSA-OSynonyms
2(((E)(4hydroxy1(naphthalen1yl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)amino)NNNtrimethylethanaminium
C(N+)(C)(C)CCNC=C1C(=O)NC(=O)N(C1=O)C2=CC=CC3=CC=CC=C32
InChI=1SC20H22N4O3c124(23)121121131618(25)2220(27)23(19(16)26)17106814745915(14)17h41013H1112H213H3(H2122252627)p+1
MFCD04077731
O=C1N=C(O)C(=CNCC(N+)(C)(C)C)C(=O)N1c1cccc2c1cccc2
TRIMETHYL(2(((E)(1NAPHTHALEN1YL246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)ETHYL)AZANIUM
TRIMETHYL(2((1NAPHTHALEN1YL246TRIOXO13DIAZINAN5YLIDENE)METHYLAMINO)ETHYL)AZANIUM
ZINC000002428748
ZINC02428748
ZINC2428748
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