Vitas-M small molecule compound
2-(benzylsulfanyl)-8,8-dimethyl-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980818
SMILES O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(N2)nc([nH]c1=O)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 C25H24N4O2S MW 444.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O2S/c1-25(2)11-17-20(18(30)12-25)19(16-9-6-10-26-13-16)21-22(27-17)28-24(29-23(21)31)32-14-15-7-4-3-5-8-15/h3-10,13,19H,11-12,14H2,1-2H3,(H2,27,28,29,31)InChIKey
VVFZYRADGDRKPK-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)88dimethyl5(pyridin3yl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl88dimethyl5pyridin3yl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4)C5=CN=CC=C5)C(=O)C1)C
InChI=1SC25H24N4O2Sc125(2)111720(18(30)1225)19(169610261316)2122(2717)2824(2923(21)31)3214157435815h3101319H111214H212H3(H227282931)
MFCD03847726
O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(N2)nc((nH)c1=O)SCc1ccccc1
ZINC000000959769
ZINC000000959770
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