Vitas-M small molecule compound
4-amino-5-(1,3-benzodioxol-5-yl)-2-(benzylsulfanyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one
Catalog ID
STK980877
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc3c(c1)OCO3)c1c(N2)nc(nc1N)SCc1ccccc1
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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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-27(2)11-17-22(18(32)12-27)21(16-8-9-19-20(10-16)34-14-33-19)23-24(28)30-26(31-25(23)29-17)35-13-15-6-4-3-5-7-15/h3-10,21H,11-14H2,1-2H3,(H3,28,29,30,31)InChIKey
KHYGPQYSTYETGO-UHFFFAOYSA-NSynonyms
4amino5(13benzodioxol5yl)2(benzylsulfanyl)88dimethyl58910tetrahydropyrimido(45b)quinolin6(7H)one
4amino5(13benzodioxol5yl)2benzylsulfanyl88dimethyl57910tetrahydropyrimido(45b)quinolin6one
CC1(CC2=C(C(C3=C(N2)N=C(N=C3N)SCC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)C(=O)C1)C
InChI=1SC27H26N4O3Sc127(2)111722(18(32)1227)21(16891920(1016)34143319)2324(28)3026(3125(23)2917)3513156435715h31021H1114H212H3(H328293031)
MFCD18181238
ZINC000044973601
ZINC000044973606
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