Vitas-M small molecule compound
N,N-diethyl-N-(3-{[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinolin-3-yl)carbonyl]amino}propyl)prop-2-en-1-aminium
Catalog ID
STK998689
SMILES C=CC[N+](CCCNC(=O)c1c(=O)[nH]c2c(c1O)CCCC2)(CC)CC
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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 C20H32N3O3 MW 362.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31N3O3/c1-4-13-23(5-2,6-3)14-9-12-21-19(25)17-18(24)15-10-7-8-11-16(15)22-20(17)26/h4H,1,5-14H2,2-3H3,(H2-,21,22,24,25,26)/p+1InChIKey
GXTGVVQQYMHEFU-UHFFFAOYSA-OSynonyms
C=CC(N+)(CCCNC(=O)c1c(=O)(nH)c2c(c1O)CCCC2)(CC)CC
C=CC(N+)(CCCNC(=O)c1c(=O)(nH)c2c(c1O)CCCC2)(CC)CC(Br)
CC(N+)(CC)(CCCNC(=O)C1=C(C2=C(CCCC2)NC1=O)O)CC=C
diethyl(3((4hydroxy2oxo5678tetrahydro1Hquinoline3carbonyl)amino)propyl)prop2enylazanium
InChI=1SC20H31N3O3c141323(5263)149122119(25)1718(24)1510781116(15)2220(17)26h4H1514H223H3(H22122242526)p+1
MFCD03298962
NNdiethylN(3(((4hydroxy2oxo125678hexahydroquinolin3yl)carbonyl)amino)propyl)prop2en1aminium
NNdiethylN(3(4hydroxy2oxo125678hexahydroquinoline3carboxamido)propyl)prop2en1aminiumbromide
ZINC000005799752
ZINC5799752
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