Vitas-M small molecule compound
N-(2-chlorobenzyl)-2-[(10-hydroxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino]-N,N-dimethylethanaminium
Catalog ID
STL042380
SMILES Oc1ccc2c(c1)c1cc(NCC[N+](Cc3ccccc3Cl)(C)C)nc(=O)n1CC2
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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 C23H26ClN4O2 MW 425.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4O2/c1-28(2,15-17-5-3-4-6-20(17)24)12-10-25-22-14-21-19-13-18(29)8-7-16(19)9-11-27(21)23(30)26-22/h3-8,13-14H,9-12,15H2,1-2H3,(H-,25,26,29,30)/p+1InChIKey
YVAWJMDLIUUZSV-UHFFFAOYSA-OSynonyms
(2CHLOROPHENYL)METHYL(2((10HYDROXY4OXO67DIHYDROPYRIMIDO(61A)ISOQUINOLIN2YL)AMINO)ETHYL)DIMETHYLAZANIUM
C(N+)(C)(CCNC1=NC(=O)N2CCC3=C(C2=C1)C=C(C=C3)O)CC4=CC=CC=C4Cl
InChI=1SC23H25ClN4O2c128(21517534620(17)24)121025221421191318(29)8716(19)91127(21)23(30)2622h381314H91215H212H3(H25262930)p+1
N(2chlorobenzyl)2((10hydroxy4oxo67dihydro4Hpyrimido(61a)isoquinolin2yl)amino)NNdimethylethanaminium
N(2chlorobenzyl)2((10hydroxy4oxo67dihydro4Hpyrimido(61a)isoquinolin2yl)amino)NNdimethylethanaminiumchloride
Oc1ccc2c(c1)c1cc(NCC(N+)(Cc3ccccc3Cl)(C)C)nc(=O)n1CC2
Oc1ccc2c(c1)c1cc(NCC(N+)(Cc3ccccc3Cl)(C)C)nc(=O)n1CC2(Cl)
ZINC000001274196
ZINC01274196
ZINC1274196
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