Vitas-M small molecule compound
2-(benzylsulfanyl)-5-[4-(propan-2-yl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980705
SMILES CC(c1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SCc1ccccc1)C
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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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-16(2)18-11-13-19(14-12-18)22-23-20(9-6-10-21(23)31)28-25-24(22)26(32)30-27(29-25)33-15-17-7-4-3-5-8-17/h3-5,7-8,11-14,16,22H,6,9-10,15H2,1-2H3,(H2,28,29,30,32)InChIKey
MWHHWEMENGIVRP-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)5(4(propan2yl)phenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(4propan2ylphenyl)1578910hexahydropyrimido(45b)quinoline46dione
CC(C)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC5=CC=CC=C5
CC(c1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccccc1)C
InChI=1SC27H27N3O2Sc116(2)18111319(141218)222320(961021(23)31)282524(22)26(32)3027(2925)3315177435817h357811141622H691015H212H3(H228293032)
MFCD04457271
ZINC000017113629
ZINC000017113631
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