Vitas-M small molecule compound
2-(propan-2-ylsulfanyl)-5-[2-(trifluoromethyl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980673
SMILES CC(Sc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccccc1C(F)(F)F)C(=O)CCC3)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 C21H20F3N3O2S MW 435.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N3O2S/c1-10(2)30-20-26-18-17(19(29)27-20)15(16-13(25-18)8-5-9-14(16)28)11-6-3-4-7-12(11)21(22,23)24/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H2,25,26,27,29)InChIKey
RMARYIIBGGLATP-UHFFFAOYSA-NSynonyms
2(propan2ylsulfanyl)5(2(trifluoromethyl)phenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2propan2ylsulfanyl5(2(trifluoromethyl)phenyl)1578910hexahydropyrimido(45b)quinoline46dione
CC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CC=C4C(F)(F)F)C(=O)CCC3
CC(Sc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccccc1C(F)(F)F)C(=O)CCC3)C
InChI=1SC21H20F3N3O2Sc110(2)3020261817(19(29)2720)15(1613(2518)85914(16)28)11634712(11)21(2223)24h34671015H589H212H3(H225262729)
MFCD05991897
ZINC000016361219
ZINC000016361221
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