Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980708
SMILES O=C1CCCC2=C1C(c1cccs1)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 C22H19N3O2S2 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O2S2/c26-15-9-4-8-14-17(15)18(16-10-5-11-28-16)19-20(23-14)24-22(25-21(19)27)29-12-13-6-2-1-3-7-13/h1-3,5-7,10-11,18H,4,8-9,12H2,(H2,23,24,25,27)InChIKey
LRAOKMAZEJMFSJ-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)5(thiophen2yl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5thiophen2yl1578910hexahydropyrimido(45b)quinoline46dione
C1CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4)C5=CC=CS5)C(=O)C1
InChI=1SC22H19N3O2S2c26159481417(15)18(16105112816)1920(2314)2422(2521(19)27)2912136213713h1357101118H48912H2(H223242527)
MFCD04457276
O=C1CCCC2=C1C(c1cccs1)c1c(N2)nc((nH)c1=O)SCc1ccccc1
ZINC000002719206
ZINC000002719207
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